PAUL MARSHALL - CURRICULUM VITAE file1987-1988 Adjunct Assistant Prof. Dept. of Chemical Engineering...

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PAUL MARSHALL - CURRICULUM VITAE

Department of Chemistry, University of North Texas, 1155 Union Circle #305070, Denton, TX 76203

Phone: (940) 565-2294, E-mail: [email protected] EDUCATION: Year Degree Major Institution 1985 Ph.D. Physical Chemistry University of Cambridge

1982 B.A. Natural Sciences University of Cambridge

PROFESSIONAL EXPERIENCE: Beginning Date- Position Organization Location

Ending Date 2018 Visiting Scientist Aeronomy Laboratory, NOAA Boulder, CO

2016 Visiting Professor Dept. of Chemistry and Chemical Albuquerque,

Biology, University of New Mexico NM

2009, 2012 Visiting Professor Dept. of Chemical Engineering Australia

The University of Sydney 2006, 2009 Visiting Professor Dept. of Chemical Engineering Lyngby, DK

and 2016 Technical University of Denmark 2005- Regents’ Professor Dept. of Chemistry Denton, TX

University of North Texas 2001 Visiting Scientist Aeronomy Laboratory, NOAA Boulder, CO 2000-2005 Professor Dept. of Chemistry Denton, TX

1994-2000 Associate Professor University of North Texas

1988-1994 Assistant Professor

1987-1988 Adjunct Assistant Prof. Dept. of Chemical Engineering Troy, NY

Rensselaer Polytechnic Inst.

1985-1988 Postdoctoral Research Dept. of Chemical Engineering Troy, NY

Associate Rensselaer Polytechnic Inst. PROFESSIONAL ACTIVITIES: Membership in Professional Organizations:

American Chemical Society (from 1988), Combustion Institute (from 1994)

Advisory Board member for the International Journal of Chemical Kinetics, 1999-2001

Editorial Board member for Molecules, 2018 -

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Honors:

Top Prof award 1994 (UNT)

Developing Scholar award 1996 (UNT)

Sugden Award 2013 (UK section of the Combustion Institute)

2016 Scholarly Works Outstanding Contributor (UNT) Areas of Expertise:

Gas-phase chemical kinetics, with emphasis on the isolation of radical reactions and the measurement of

the rate constants over wide ranges of temperature by means of time-resolved spectroscopy, fast-flow

and relative rate techniques. The results are interpreted in the light of dynamical theories and ab initio

information about potential energy surfaces, obtained using computational quantum chemistry.

UNIVERSITY COMMITTEES & COUNCILS:

1996-2001 Library Committee (Acting Chair Fall 1999)

COLLEGE COMMITTEES & COUNCILS:

1995-1998 Arts & Sciences Faculty Council

1999-2000 Arts & Sciences Computing Committee

2006- Arts & Sciences Computing Committee

2009-2012 Arts & Sciences Undergraduate Curriculum Committee

DEPARTMENT COMMITTEES & COUNCILS:

1988-2000 Member of Graduate Affairs Committee (Acting Chair Spring 1995)

1988-1990 Secretary for Faculty Meetings

1993-1996 Library representative

1995-1998 Personnel Affairs Committee (Chair 1997)

1995-2012 Physical Chemistry Division Chair

1996-1997 Analytical Chemistry Search Committee

1997- Instrument Committee (Chair 2000-2003)

2000 Physical Chemistry Search Committee (Chair)

2000-2004 Personnel Affairs Committee (on leave Spring 2001) (Chair 2002)

2001-2004 Welch Chair Search Committee

2001-2002 Organic and Research Enhancement Search Committee

2002 ad hoc Research Office Committee

2004-2005 Physical Chemistry Search Committee


2006-2007 Catalysis Search Committee

2007-2016 Undergraduate Affairs Committee (Chair 2007-2012)


2013-2014 Physical Chemistry Search Committee

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2017-2018 Physical Chemistry Search Committee (Chair)

2018- Physical Chemistry Division Chair

2018- Physical Chemistry Search Committee (Chair)

4

FUNDED GRANTS & CONTRACTS:

Beginning Date -

Ending Date

Title Agency Amount ($)

9/88-8/89 The Gas-Phase Kinetics

of Sulfur Species

UNT (Faculty Research) 3,200


of Sulfur Species

UNT (Summer Salary

Support)

3,500

6/89-5/92 The Kinetics of Metallic

Species in the Gas Phase

R.A. Welch Foundation 75,000


of Sulfur Species


2/90-7/90 Measurements of

Reaction Kinetics

Texas Instruments, Inc. 2,000

6/90-5/91 Kinetic Measurements of

Chemical Vapor

Deposition Reactions



of Plasma- Enhanced

Chemical Vapor

Deposition


9/90-8/91 The Reaction of Atomic

Hydrogen with Hydrogen

Sulfide

NSF Pittsburgh

Supercomputing Center

20,000*

10/90 Equipment donation McDonnell-Douglas 1,000†

4/91 Equipment donation MKS Instruments 135†

9/91-8/92 A Theoretical

Investigation of

Combustion of Boron

and Aluminum


11/91-9/92 The Reaction of Atomic

Hydrogen with Hydrogen

Sulfide (renewal)

NSF Pittsburgh


90,000*

12/91 Equipment donation Howard Hughes Medical

Institute

20,000†

6/92-5/95 Bound Intermediates in

Gas-Phase Kinetics


6/92-8/92 Kinetics of Alkali Metal

Atoms

Texas Academy of

Mathematics and Science

500

5

Beginning Date -

Ending Date


7/92-6/93 Gas-Phase Kinetics of

Sulfur-Containing

Species

NSF Pittsburgh


180,000*


of Silanes


9/93-8/94 Development of

Replacements for Halon

Fire Extinguishers


8/93-7/94 Gas-Phase Kinetics of

Sulfur-Containing

Species

NSF Pittsburgh


48,000*

9/94-8/95 Elementary Reactions in

Hydrocarbon

Combustion

UNT Faculty Research

Grant

2,700

12/94-1/96 Ab Initio Investigations

of Elementary Reactions

NSF Pittsburgh


260,000*



NSF Pittsburgh


180,000*

5/95-7/95 Summer Faculty

Research Program

Air Force Office of

Scientific Research

12,000

6/95-5/98 Kinetic and

Thermochemical Studies

of Gas-Phase Radical

Reactions


9/95-8/96 Investigations of the

Atmospheric Chemistry

of Sulfur


Grant

3,800

11/95-8/96 Investigations of

Potential Fire

Suppressants

Huntington Research and

Engineering

25,000

1/96-12/96 Experimental and

Computational

Investigations of Flame

Suppression

Air Force Office of

Scientific Research

31,293

(incl. 6,293

UNT match)



NSF Pittsburgh


188,000*

6/96-8/96 Summer Faculty

Research Program

Air Force Office of

Scientific Research

12,000

6

Beginning Date -

Ending Date


2/96-3/96 Analysis of CF3I/O2

Plasmas


9/96-8/97 Investigations of

Alternative Chemistries

for Plasma Processing


Grant

3,800

1/97-12/97 Experimental and

Computational

Investigations of

Bromine and Iodine

Chemistry in Flame

Suppression

Air Force Office of

Scientific Research

32,500

(incl. $7,500

UNT match)

9/97-8/98 Investigations of Plasma

Processing Chemistry


Grant

3,500

1/98-12/98 Non-Global-Warming

Plasma Etchants


6/98-5/01 The Temperature

Dependence Gas-Phase

Radical Reactions


9/98-8/99 Investigations of Gas

Phase Sulfur Chemistry


Grant

3,500

9/98-3/99 Investigations of Surface

Chemistry

MDE Chem. Inc. 3,200

2/99-7/99 Ab Initio Variational

Transition State Theory

Environmental Protection

Agency

Collaboration with

University of Dayton

Research Institute.

13,909

Dollar figure is

the UNT

component.

4/99-12/99 Addition of Hydroxyl

Radicals to Chlorinated

Ethylenes

National Partnership for

Advanced Computational

Infrastructure

360,000*

9/99-8/00 Kinetic Studies of the

Oxidation of

Formaldehyde


Grant

3,800

4/00-4/01 Radical Chemistry in

Combustion

National Center for

Supercomputing

Applications

50,000*

7

Beginning Date -

Ending Date


8/00-7/02 Oxidative

Transformation of Model

Oxygenated Hazardous

Air Pollutants

Environmental Protection

Agency

Collaboration with

University of Dayton

Research Institute.

108,459

Dollar figure is

the UNT

component.

9/00-8/01 Non-Global Warming

Etchants for Plasma

Processing


Grant

3,500


Combustion

National Center for

Supercomputing

Applications

10,000 su’s

6/01-5/04 The Temperature

Dependence Radical

Addition Reactions


9/01-8/02 The Combustion Kinetics

of Chloroethylenes


Grant

4,000

9/01-2/05 The Influence of Sulfur

on NOx Formation in

Combustion

National Science

Foundation

276,000

(plus $41,609

UNT match)


Combustion

National Center for

Supercomputing

Applications

10,000 su’s

6/02 - 5/03 Development of an On-

Line Chemistry MS

Degree

Collaboration with

Drs.T. Golden, D. Mason

and A.K. Wilson

UNT Teaching with

Technology

33,000

9/02-8/03 Advanced Analysis of

Transition States


Grant

4,800


Combustion

National Center for

Supercomputing

Applications

8,000 su’s

9/03-8/04 Mechanisms of Soot

Formation


Grant

4,000

3/04-2/07 Purchase of a Computer

Cluster for the New UNT

Computational

Chemistry Research

Facility

NSF CRIF

Dr. R. Thomas (PI) and

Drs. A.K. Wilson, P.

Bagus, T. Cundari, P.

Marshall (co-PIs)

129,484

8

Beginning

Date -

Ending Date

Title Agency Amount

($)

6/04-5/07 Gas-Phase Reactions Controlled by Long

Range Forces

R.A. Welch

Foundation

165,000

9/04-8/05 Investigations of Gas-Phase Sulfur-

Chlorine Chemistry

UNT Faculty

Research Grant

2,000

10/04-9/05 Radical Chemistry in Combustion National Center for

Supercomputing

Applications

8,000 su’s


Supercomputing

Applications

5,000 su’s

9/06-8/07 Napthalene Chemistry Relevant to Soot

Formation

UNT Faculty

Research Grant

5,000


Supercomputing

Applications

6,000 su’s

6/07-5/10 Kinetic Studies of Complex-Forming

Reactions in the Gas-Phase

R.A. Welch

Foundation

180,000

9/07-8/08 Partial Oxidation of Hydrocarbons UNT Faculty

Research Grant

5,000


Supercomputing

Applications

20,000

su’s

5/08-4/11 Effects of Sulfur on Fuel National Science 280,000

Nitrogen Conversion in Foundation

Combustion


Supercomputing

Applications

10,000

su’s

9/09-8/10 Energy Transfer and Thermochemistry in

Hydrocarbon Chemistry

UNT Faculty

Research

Grant

7,500

6/10-5/12

Kinetic Studies of Complex-Forming


R.A. Welch

Foundation

140,000

6/11-7/12 Power Generation from Renewable Energy

– Ash Transformation, Deposition and

Additives

Danish Strategic

Research Council

70,297

9

Beginning

Date -

Ending Date

Title Agency Amount

($)

6/12-5/13 Kinetic Studies of Complex-Forming


R.A. Welch

Foundation

60,000

2/12-9/12 Power Generation from Renewable Energy

– Ash Transformation, Deposition and

Additives

Danish Strategic

Research Council

18,592

6/13-8/16 Kinetic and Product Studies of Complex-

Forming Reactions in the Gas-Phase

R.A. Welch

Foundation

180,000

8/15-7/18 MRI: Acquisition of a Computer Cluster for

the Computational Chemistry Program at

the University of North Texas (co-PI)

National Science

Foundation

400,000

9/18 Texas Research Initiative Program Texas Higher

Education

Coordinating Board

33,750

*value of super-computer time @ $2,000/service unit; $1,200/unit for Cray time and $5/unit for SGI

Origin time from 1999-2000 (figures provided by the UNT Research Office).

†value of equipment.

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PUBLICATIONS:

147 publications.

1. "Temperature Dependence of the Absolute Third-Order Rate Constant for the Reaction between

Na + O2 + N2 over the Range 571-1016 K Studied by Time-Resolved Atomic Resonance

Absorption Spectroscopy", D. Husain, P. Marshall and J. M. C. Plane, J. Chem. Soc. Faraday

Trans. 2, 81, 301 (1985).

2. "Determination of Absolute Rate Data for the Reaction of Atomic Sodium, Na(32S2), with

CF3Cl, CF2Cl2, CFCl3, CF3Br and SF6 as a Function of Temperature by Time-Resolved

Resonance Absorption Spectroscopy at λ = 589 nm [Na(32PJ) - Na(3

2S2)]", D. Husain and

P. Marshall, J. Chem. Soc. Faraday Trans. 2, 81, 613 (1985).

3. "Kinetic Study of the Absolute Rate Constant for the Reaction between Na + N2O in the

Temperature Range 349-917 K by Time-Resolved Atomic Resonance Absorption Spectroscopy

at λ = 589 nm [Na(32PJ) - Na(3

2S2)] Following Pulsed Irradiation", D. Husain and P. Marshall,

Comb. Flame, 60, 81 (1985).

4. "Determination of the Absolute Second-Order Rate Constant for the Reaction Na + O3 → NaO +

O2", D. Husain, P. Marshall and J. M. C. Plane, J. Chem. Soc., Chem. Commun., 1216 (1985).

5. "Rate Constant for the Reaction Na + O2 + N2 → NaO2 + N2 under Mesospheric Conditions", D.

Husain, P. Marshall and J. M. C. Plane, J. Photochem., 32, 1 (1986).

6. "Determination of Absolute Rate Data for the Reaction of Atomic Sodium, Na(32S2), with CH3F,

CH3Cl, CH3Br, HCl and HBr as a Function of Temperature by Time-Resolved Atomic

Resonance Spectroscopy", D. Husain and P. Marshall, Int. J. Chem. Kinet., 18, 83 (1986).

7. "An HTP Kinetics Study of the Reaction between Ground-State H Atoms and NH3 from 500 to

1140 K", P. Marshall and A. Fontijn, J. Chem. Phys., 85, 2637 (1986).

8. "A High-Temperature Photochemistry Kinetics Study of the Reaction of O(3P) Atoms with

Ethylene from 290 to 1510 K", K. Mahmud, P. Marshall and A. Fontijn, J. Phys. Chem., 91,

1568 (1987).

9. "High-Temperature Photochemistry and BAC-MP4 Studies of the Reaction between

Ground-State H Atoms and N2O", P. Marshall, A. Fontijn and C.F. Melius, J. Chem. Phys., 86,

5540 (1987).

10. "Temperature Dependence of the Absolute Third-Order Rate Constant for the Reaction between

K + O2 + N2 over the Range 680-1010 K Studied by Time-Resolved Atomic Resonance

Absorption Spectroscopy", D. Husain, Y. H. Lee and P. Marshall, Combust. Flame, 68, 143

(1987).

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11. "A Method for Analyzing Exponential Decays", P. Marshall, Comput. Chem., 11, 219 (1987).

12. "A High-Temperature Photochemistry (HTP) Study of the D + ND3 Reaction", P. Marshall and

A. Fontijn, J. Phys. Chem., 91, 6297 (1987).

13. "HTP Kinetics Studies of the Reaction of O(23PJ) Atoms with H2 and D2 over Wide Temperature

Ranges", P. Marshall and A. Fontijn, J. Chem. Phys., 87, 6988 (1987).

14. "The Reaction of O(3P) Atoms with Ethane: an HTP Kinetics Study from 300 to 1270 K",

K. Mahmud, P. Marshall and A. Fontijn, J. Chem. Phys., 88, 2393 (1988).

15. "High-Temperature Fast-Flow Reactor Kinetics Studies: Al + Cl2 → AlCl + Cl, Al + HCl →

AlCl + H, and AlCl + Cl2 → AlCl2 + Cl", D. F. Rogowski, P. Marshall and A. Fontijn, J. Phys.

Chem., 93, 1118 (1989).

16. "High-Temperature Photochemistry (HTP) Studies of the Reactions of H(12S) and D(1

2S) with

N2O", P. Marshall, T. Ko and A. Fontijn, J. Phys. Chem., 93, 1922 (1989).

17. "Rate Coefficients for the H + NH3 Reaction over a Wide Temperature Range", T. Ko, P.

Marshall and A. Fontijn, J. Phys. Chem., 94, 1401 (1990).

18. "Kinetic and Thermochemical Studies of the Recombination Reaction Na + O2 + N2 from 590 to

1515 K by a Modified High-Temperature Photochemistry Technique", P. Marshall, A. S.

Narayan and A. Fontijn, J. Phys. Chem., 94, 2998 (1990).

19. "A Kinetic Study of the Recombination Reaction Na + SO2 + Ar", Y. Shi and P. Marshall, J.

Phys. Chem., 95, 1654 (1991).

20. "An Ab Initio Study of the Reaction of Atomic Hydrogen with Sulfur Dioxide", D. Binns and P.

Marshall, J. Chem. Phys., 95, 4940 (1991).

21. "A Computational Study of Adducts between Atomic Chlorine and Carbon Dioxide, Carbonyl

Sulfide and Carbon Disulfide", P. Marshall, J. Mol. Struct. (Theochem), 236, 309 (1991).

22. "An Ab Initio Study of the Ionization of Sodium Superoxide", P. Marshall, J. Chem. Phys., 95,

7773 (1991).

23. "Kinetic Studies of the Reactions of Atomic Chlorine and Bromine with Silane", L. Ding and P.

Marshall, J. Phys. Chem., 96, 2197 (1992).

24. "An Ab Initio Study of Sulfinic Acid and Related Species", D. Laakso and P. Marshall, J. Phys.

Chem., 96, 2471 (1992).

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25. "Does Alkyl Substitution Affect the Si-H Bond Strength in Silane? Kinetic Studies of the

Reactions of Atomic Chlorine and Bromine with Trimethylsilane and an Ab Initio Investigation",

L. Ding and P. Marshall, J. Amer. Chem. Soc., 114, 5754 (1992).

26. "Reactions of Boron and Aluminum Atoms with Small Molecules", P. Marshall, P. B. O'Connor,

W.-T. Chan, P. V. Kristof and J. D. Goddard, in "Gas-Phase Metal Reactions" (A. Fontijn,

Editor; North Holland, Amsterdam, 1992) Ch. 8.

27. "A Theoretical Study of Nitrososilane and Six Isomers of SiH3NO", P. Marshall, Chem. Phys.

Lett., 201, 493 (1993).

28. "Kinetic Studies of the Reactions of Atomic Bromine with Methylsilane and Dimethylsilane and

Ab Initio Investigations", L. Ding and P. Marshall, J. Chem. Soc. Faraday Trans., 89, 419

(1993).

29. "Discharge-Flow/Chemiluminescence and Flash-Photolysis/Resonance Fluorescence Studies of

the Reaction O + SiH4 at Room Temperature", C. A. Taylor, L. Ding and P. Marshall, Int. J.

Chem. Kinet., 25, 183 (1993).

30. "An Investigation of the Gas-Phase Reaction of Atomic Bromine with Disilane: Implications for

the Si2H5-H Bond Strength", A. Goumri, W.-J. Yuan, L. Ding and P. Marshall, Chem. Phys.

Lett., 204, 296 (1993).

31. "Gas-Phase Reactions between Hydrocarbons and Metal Oxides. The AlO + CH4 Reaction from

590 to 1380 K", D. P. Belyung, A. Fontijn and P. Marshall, J. Phys. Chem., 97, 3456 (1993).

32. "The Kinetics of the Reaction of Atomic Oxygen with Tetramethylsilane", L. Ding and P.

Marshall, J. Phys. Chem., 97, 3758 (1993).

33. "An Investigation of the Gas-Phase Reaction of Trimethylsilyl Radicals with HBr: Measurement

of the (CH3)3Si-H Bond Strength", A. Goumri, W.-J. Yuan and P. Marshall, J. Amer. Chem.

Soc., 115, 2539 (1993).

34. "A Discharge-Flow/Chemiluminescence Study of the Reaction O + Si2H6 at Room

Temperature", C. A. Taylor and P. Marshall, Chem. Phys. Lett., 205, 493 (1993).

35. "Experimental and Theoretical Studies of the Reaction of Atomic Oxygen with Silane", L. Ding

and P. Marshall, J. Chem. Phys., 98, 8545 (1993).

36. "An Investigation of the Gas-Phase Kinetics of the Reaction K + SO2 + Ar", A. Goumri, D.

Laakso, J-D. R. Rocha, E. Francis and P. Marshall, J. Phys. Chem., 97, 5295 (1993).

37. "Experimental and Theoretical Studies of the Reaction of Atomic Hydrogen with Silane", A.

Goumri, W.-J. Yuan, L. Ding, Y. Shi and P. Marshall, Chem. Phys., 177, 233 (1993).

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38. "A Computational Investigation of the Molecular Geometry and Rotational Barriers in

Ethylmethyl Ether", C. L. Stanton, P. Marshall and M. Schwartz, J. Mol. Struct. (Theochem),

288, 215 (1993).

39. "Investigations of the Reaction of Trimethylsilane with O(3P) Atoms", A. Misra, L. Ding, P.

Marshall, C. Buchta, D.-V. Stucken, J.-T. Vollmer and H. Gg. Wagner, J. Phys. Chem., 98,

4020 (1994).

40. "An Investigation of Donor-Acceptor Bonding between Amines and Silylenes", R. T. Conlin, D.

Laakso and P. Marshall, Organometallics, 13, 838 (1994).

41. "Kinetics and Thermochemistry of the Reaction Si(CH3)3 + HBr = Si(CH3)3H + Br:

Determination of the (CH3)3Si-H Bond Energy", I. J. Kalinovski, D. Gutman, L. N. Krasnoperov,

A. Goumri, W.-J. Yuan and P. Marshall, J. Phys. Chem., 98, 9551 (1994).

42. "Theoretical Studies of the RSOO, ROSO, RSO2 and HOOS (R = H, CH3) Radicals", D. Laakso,

C. E. Smith, A. Goumri, J.-D. R. Rocha and P. Marshall, Chem. Phys. Lett., 227, 377 (1994).

43. "Theoretical Studies of Reactions of Silanes", P. Marshall, J. Mol. Struct. (Theochem), 313, 19

(1994).

44. "Computational Studies of the Potential Energy Surface for O(1D) + H2S: Characterization of

Pathways Involving H2SO, HOSH and H2OS", A. Goumri, J.-D. R. Rocha, D. Laakso, C. E.

Smith and P. Marshall, J. Chem. Phys., 101, 9405 (1994).

45. "Computational Studies of the Potential Energy Surface for O(3P) + H2S: Characterization of

Transition States and the Enthalpy of Formation of HSO and HOS", A. Goumri, D. Laakso, J.-D.

R. Rocha, C. E. Smith and P. Marshall, J. Chem. Phys., 102, 161 (1995).

46. "The Kinetics of the Recombination Reaction SH + O2 + Ar: Implications for the Formation and

Loss of HSOO and SOO in the Atmosphere", A. Goumri, J.-D. R. Rocha and P. Marshall, J.

Phys. Chem., 99, 10834 (1995).

47. "Collision-Induced Interaction Cross Sections of 1-7 MeV B2 Ions Incident on an N2 Gas

Target", Y. D. Kim, J. Y. Jin, S. Matteson, D. L. Weathers, J. M. Anthony, P. Marshall and F. D.

McDaniel, Nucl. Instrum. Methods Phys. Res. B, 99, 82 (1995).

48. “The Positions of λmax for some Trimethylsilyl-Substituted Silylenes”, S. G. Bott, P. Marshall, P.

E. Wagenseller, Y. Yang and R. T. Conlin, J. Organomet. Chem., 499, 11 (1995).

49. “Ab Initio Calculations and Kinetics Modeling of Halon and Halon Replacements”, H.L. Paige,

R. J. Berry, M. Schwartz, P. Marshall, D. R. F. Burgess and M. R. Nyden, Proceedings of the

1996 Halon Options Technical Working Conference, 259-270 (1996).

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50. “Laser-Induced Fluorescence and Mass-Spectrometric Studies of the Cu + HCl Reaction over a

Wide Temperature Range. Formation of HCuCl”, D. P. Belyung, J. Hranisavljevic, O. E.

Kashireninov, G. M. Santana, A. Fontijn and P. Marshall, J. Phys. Chem., 100, 17835 (1996).

51. “Kinetic and Mechanistic Studies of the Reaction of Hydroxyl radicals with Acetaldehyde over

an Extended Temperature Range”, P. H. Taylor, M. Sm. Rahman, A. Arif, B. Dellinger and P.

Marshall, Proc. Combust. Inst., 26, 497 (1996).

52. “Computational Studies of the Reactions of CH3I with H and OH”, P. Marshall, A. Misra and R.

J. Berry, Chem. Phys. Lett., 265, 48 (1997).

53. “A Computational Study of the Reactions of Atomic Hydrogen with Fluoromethanes: Kinetics

and Product Channels”, R. J. Berry, C. J. Ehlers, D. R. Burgess, Jr., M. R. Zachariah and P.

Marshall, Chem. Phys. Lett., 269, 107 (1997).

54. “A Computational Study of C-H Bond Strengths in Polyfluoroalkanes”, P. Marshall and M.

Schwartz, J. Phys. Chem. A, 101, 2906 (1997).

55. “Kinetic Studies of the Reactions of Atomic Hydrogen with Iodoalkanes”, J. Yuan, L. Wells and

P. Marshall, J. Phys. Chem. A, 101, 3542 (1997).

56. “Elementary Reactions and a Mechanism for the Suppression of Hydrogen Fires by CF3I”, P.

Marshall, A. Misra, J. Yuan, R. Berry and A. McIlroy, Proceedings of the 1997 Halon Options

Technical Working Conference, 262 (1997).

57. “Computational Studies of the Isomers of ClIO and ClIO2: Implications for the Stratospheric

Chemistry of Iodine”, A. Misra and P. Marshall, J. Chem. Soc. Faraday Trans. 93, 3301

(1997).

58. “Potential Energy Surfaces for the Reaction of O-atoms with CH3I: Implications for

Thermochemistry and Kinetics”, A. Misra, R. J. Berry and P. Marshall, J. Phys. Chem. A.101,

7420 (1997).

59. “Ab Initio Calculations for Kinetic Modeling of Halocarbons”, R. J. Berry, M. Schwartz and P.

Marshall, in “Computational Thermochemistry: Prediction and Estimation of Molecular

Thermodynamics” (K. K. Irikura, D. J. Frurip, Eds.; ACS Symp. Ser. 677; ACS: Washington

DC, 1998) Ch. 18.

60. “A Computational Study of the Reaction Kinetics of Methyl Radicals with

Trifluorohalomethanes”, R. J. Berry and P. Marshall, Int. J. Chem. Kinet., 30, 179 (1998).

61. “Experimental and Computational Investigations of the Reaction of OH with CF3I and the

Enthalpy of Formation of HOI”, R. J. Berry, J. Yuan, A. Misra and P. Marshall, J. Phys. Chem.

A, 102, 5182 (1998).

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62. “Computational Investigations of Iodine Oxides”, A. Misra and P. Marshall, J. Phys. Chem. A,

102, 9056 (1998).

63. “Kinetic Studies of the Reaction of Atomic Hydrogen with Trifluoroiodomethane”, J. Yuan, L.

Wells and P. Marshall, Chem. Phys. Lett., 297, 553 (1998).

64. “Computational Study of the Kinetics of Hydrogen Abstraction from Fluoromethanes by the

Hydroxyl Radical”, M. Schwartz, P. Marshall, R. J. Berry, C. J. Ehlers and G. A. Petersson, J.

Phys. Chem. A, 102, 10074 (1998).

65. “Inhibition of Non-Premixed Flames by CF3Br”, L. Truett, H. Thermann, D. Trees, K. Seshadri,

J. Yuan, L. Wells and P. Marshall, Proc. Combust. Inst, 27, 2741 (1998).

66. “A Computational Study of the Enthalpies of Formation of Halomethylidynes”, P. Marshall, A.

Misra and M. Schwartz, J. Chem. Phys., 110, 2069 (1999).

67. “The Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane”, P. Marshall,

J. Phys. Chem. A, 103, 4560 (1999).

68. “Experimental and Ab Initio Investigations of the Kinetics of the Reaction H + H2S”, J. Peng, X.

Hu and P. Marshall, J. Phys. Chem. A, 103, 5307 (1999).

69. “An Ab Initio Investigation of Halocarbenes”, M. Schwartz and P. Marshall, J. Phys. Chem. A,

103, 7900 (1999).

70. “The Gas-Phase Kinetics of the Reactions of Alkali Metal Atoms with Nitric Oxide”, A. Goumri,

J.-D. R. Rocha, A. Misra and P. Marshall, J. Phys. Chem. A, 103, 9252 (1999).

71. “Characterization of Reaction Pathways on the Potential Energy Surfaces for H + SO2 and HS +

O2”, A. Goumri, J.-D. R. Rocha, D. Laakso, C. E. Smith and P. Marshall, J. Phys. Chem. A,

103, 11328 (1999).

72. “Kinetic and Modeling Studies of the Reaction of Hydroxyl Radicals with Tetrachloroethylene”,

L. B. Tichenor, J. L. Graham, T. Yamada, P. H. Taylor, J. Peng, X. Hu and P. Marshall, J. Phys.

Chem. A, 104, 1700 (2000).

73. “Reaction of Hydroxyl Radicals with Trichloroethylene: Evidence for Chlorine Elimination

Channels at Elevated Temperatures”, L. B. Tichenor, A. J. Lozada-Ruiz, T. Yamada, A.

El-Sinawi, P. H. Taylor, J. Peng, X. Hu and P. Marshall, Proc. Combust. Inst., 28, 1495 (2000).

74. “Kinetic Studies of the Reaction of Hydroxyl Radicals with Trichloroethylene and

Tetrachloroethylene”, L. B. Tichenor, A. El-Sinawi, T. Yamada, P. H. Taylor, J. Peng, X. Hu

and P. Marshall, Chemosphere, 42, 571 (2001).

16

75. “Rate Coefficients and Mechanistic Analysis for the Reaction of Hydroxyl Radicals with 1,1-

Dichloroethylene and trans-1,2-Dichloroethylene over an Extended Temperature Range”, T.

Yamada, A. El-Sinawi, M. Siraj, P. H. Taylor, J. Peng, X. Hu and P. Marshall, J. Phys. Chem.

A, 105, 7588 (2001).

76. “Rate Coefficients and Mechanistic Analysis for Reaction of OH with Vinyl Chloride between

293 and 730 K”, T. Yamada, M. Siraj, P. H. Taylor, J. Peng, X. Hu and P. Marshall, J. Phys.

Chem. A, 105, 9436 (2001).

77. “The Kinetics of the Reaction of H Atoms with C4F6”, X. Hu, A. Goumri and P. Marshall, J.

Phys. Chem. A, 105, 11220 (2001).

78. “Rate Coefficient and Product Branching Measurements for the Reaction OH + Bromopropane

from 230 to 360 K”, M. K. Gilles, J. B. Burkholder, T. Gierczak, P. Marshall and A. R.

Ravishankara, J. Phys. Chem. A, 106, 5358 (2002).

79. “High-Accuracy Coupled-Cluster Computations of Bond Dissociation Energies in SH, H2S, and

H2O”, L. R. Peebles and P. Marshall, J. Chem. Phys., 117, 3132 (2002).

80. “A Coupled-Cluster Study of the Enthalpy of Formation of Nitrogen Sulfide, NS”, L. R. Peebles

and P. Marshall, Chem. Phys. Lett., 366, 520 (2002).

81. “A Computational Study of Chlorofluoro-Methyl Radicals”, M. Schwartz, L.R. Peebles, R.J.

Berry and P. Marshall, J. Chem. Phys., 118, 557 (2003).

82. “Kinetic Studies of the Reactions of Hydroxyl Radicals with the Methyl-Substituted Silanes

SiHn(CH3)4-n (n=0 to 4) at Room Temperature”, A. Goumri, J. Yuan, E.L. Hommel and P.


83. “The Reaction of OH with Acetone and Acetone-d6 from 298 to 832 K: Rate Coefficients and

Mechanism”, T. Yamada, P.H. Taylor, A, Goumri and P. Marshall, J. Chem. Phys., 119, 10600

(2003).

84. “An Investigation of the Reaction of CH3S with CO”, L.C. Koch, P. Marshall, A.R.

Ravishankara, J. Phys. Chem. A, 108, 5205 (2004).

85. “Kinetic Studies of the Cl + HI Reaction using Three Techniques”, J. Yuan, A. Misra, A.

Goumri, D.D. Shao and P. Marshall, J. Phys. Chem. A, 108, 6857 (2004).

86. “Reaction Kinetics of the Addition of Atomic Sulfur to Nitric Oxide”, A. Goumri, D.D. Shao and

P. Marshall, J. Chem. Phys., 121, 9999 (2004).

87. “A Kinetic Study of the Reaction of Atomic Oxygen with SO2”, J. Naidoo, A. Goumri and P.

Marshall, Proc. Combust. Inst., 30, 1219 (2005).

17

88. “Mechanism and Modeling of the Formation of Gaseous Alkali Sulfates”, P. Glarborg and P.

Marshall, Combust. Flame, 141, 22 (2005).

89. “A Computational Study of the Thermochemistry of Bromine and Iodine-Containing Methanes

and Methyl Radicals”, P. Marshall, G.N. Srinivas and M. Schwartz, J. Phys. Chem. A, 109,

6371 (2005).

90. “Modified Transition State Theory and Negative Apparent Activation Energies of Simple

Metathesis Reactions: Application to the Reaction CH3 + HBr → CH4 + Br”, L.N. Krasnoperov,

J. Peng and P. Marshall, J. Phys. Chem. A, 110, 3110 (2006).

91. “Thermal Dissociation of SO3 at 1000-1400 K”, A. Yilmaz, L. Hindiyarti, A.K. Jensen, P.

Glarborg and P. Marshall, J. Phys. Chem. A, 110, 6654 (2006).

92. “Thermochemistry is not a Lower Bound to the Activation Energy of Endothermic Reactions: A

Kinetic Study of the Gas-Phase Reaction of Atomic Chlorine with Ammonia”, Y. Gao, I.M.

Alecu, P-C. Hsieh, B.P. Morgan, P. Marshall and L.N. Krasnoperov, J. Phys. Chem. A, 110,

6844 (2006).

93. “Kinetics of the NH + H2 Reaction and Reassessment of HNO Formation from NH + CO2,

H2O”, A. Fontijn, S.M. Shamsuddin, D. Crammond, P. Marshall and W.R. Anderson, Combust.

Flame, 145, 543 (2006).

94. “The Reaction of OH with Acetaldehyde and Deuterated Acetaldehyde: Further Insight into the

Reaction Mechanism at both Low and Elevated Temperatures”, P.H. Taylor, T. Yamada and P.

Marshall, Int. J. Chem. Kinet., 38, 489 (2006).

95. “The Relaxation of OH (v=1) and OD (v=1) by H2O and D2O at Temperatures from 251 to 390

K”, D.C. McCabe, B. Rajakumar, P. Marshall, I.W.M. Smith and A.R. Ravishankara, Phys.

Chem. Chem. Phys., 8, 4563 (2006).

96. “Kinetics and Thermochemistry of the Addition of Atomic Chlorine to Acetylene”, Y. Gao, I.M.

Alecu, P.-C. Hsieh, A. McLeod, C. McLeod, M. Jones and P. Marshall, Proc. Combust. Inst.,

31, 193 (2007).

97. “Mechanisms of radical removal by SO2”, C.L. Rasmussen, P. Glarborg and P. Marshall, Proc.

Combust. Inst., 31, 339 (2007).

98. “Metal ion-molecule kinetics at combustion temperatures: The reaction of Ca+ with O2”, B.

Cosic, A. Ermoline, A. Fontijn and P. Marshall, Proc. Combust. Inst., 31, 349 (2007).

99. “Studies of the Kinetics and Thermochemistry of the Forward and Reverse Reaction Cl + C6H6 =

HCl + C6H5”, I. M. Alecu, Y. Gao, P-C. Hsieh, J.P. Sand, A. Ors, A. McLeod and P. Marshall, J.

Phys. Chem. A., 111, 3970 (2007).

18

100. “Reactions of SO3 with the O/H Radical Pool under Combustion Conditions”, L. Hindiyarti, P.

Glarborg and P. Marshall, J. Phys. Chem. A., 111, 3984 (2007).

101. “A Kinetic Study of the Reaction of Atomic Hydrogen with Iodobenzene”, Y. Gao, K. Fessel, C.

McLeod and P. Marshall, Chem. Phys. Lett., 451, 8 (2008).

102. “Computational Studies of the Thermochemistry of the Atmospheric Iodine Reservoirs HOI and

IONO2”, P. Marshall, Adv. Quantum Chem., 55, 159 (2008).

103. “An Exploratory Study of Alkali Sulfate Aerosol Formation during Biomass Combustion”, L.

Hindiyarti, F. Frandsen, H. Livbjerg, P. Glarborg and P. Marshall, Fuel, 87, 1591 (2008).

104. “Experimental Measurements and Kinetic Modeling of CO/H2/O2/NOx Conversion at High

Pressure”, C. L. Rasmussen, J. Hansen, P. Marshall, and P. Glarborg, Int. J. Chem. Kinet., 40,

454 (2008).

105. “Rate Constants and Hydrogen Isotope Substitution Effects in the CH3 + HCl and CH3 + Cl2

Reactions”, A. J. Eskola, R. S. Timonen, P. Marshall, E. N. Chesnokov, and L. N. Krasnoperov,

J. Phys. Chem. A, 112, 7391 (2008).

106. “Kinetic Studies of Chlorobenzene Reactions with Hydrogen Atoms and Phenyl Radicals and the

Thermochemistry of 1-Chlorocyclohexadienyl Radicals”, Y. Gao and P. Marshall, Proc.

Combust. Inst., 32, 351 (2009).

107. “Experimental and Kinetic Modeling Study of C2H4 Oxidation at High Pressure”, J.G. Lopez,

C.L. Rasmussen, M.U. Alzueta, Y. Gao, P. Marshall and P. Glarborg, Proc. Combust. Inst., 32,

367 (2009).

108. “Kinetic Studies of the Reaction of Atomic Chlorine with Chlorobenzene”, Y. Gao and P.


109. “The Rate Constant for the CO + H2O2 Reaction”, P. Glarborg and P. Marshall, Chem. Phys.

Lett., 475, 40 (2009).

110. “Enthalpy of Formation of the Cyclohexadienyl Radical and the C−H Bond Enthalpy of 1,4-

Cyclohexadiene: An Experimental and Computational Re-Evaluation” Y. Gao, N.J. DeYonker,

E. C. Garrett, III, A.K. Wilson, T.R. Cundari and P. Marshall, J. Phys. Chem. A, 113, 6955

(2009).

111. “Atmospheric Chemistry of Isopropyl Formate and tert-Butyl Formate” A.S. Pimentel, G.S.

Tyndall, J.J. Orlando, M.D. Hurley, T.J. Wallington, M.P.S. Andersen, P. Marshall, T.S. Dibble,

Int. J. Chem. Kinet., 42, 479 (2010).

19

112. “An Experimental and Theoretical Study of the Reaction between NH(X3Σ

-) and SO(X

3Σ

-)”

M.A. Blitz, R.J. Shannon, P. Marshall and M.J. Pilling, Z. Phys. Chem. 224, 1009 (2010).

113. “High-Pressure Oxidation of C2H4/NO Mixtures” J. Giménez-López, M.U. Alzueta, C.T.

Rasmussen, P. Marshall and P. Glarborg, Proc. Combust. Inst., 33, 449 (2011).

114. “Kinetic and Modeling Studies of the Reaction S + H2S” Y. Gao, C. Zhou, K. Sendt, B.S.

Haynes and P. Marshall, Proc. Combust. Inst., 33, 459 (2011).

115. “Predicted Thermochemistry and Unimolecular Kinetics of Nitrous Sulfide” P. Marshall, Y. Gao

and P. Glarborg, J. Chem. Phys., 135, 094301 (2011).

116. “An Experimental and Computational Study of the Reaction of Ground-State Sulfur Atoms with

Carbon Disulfide” Y. Gao and P. Marshall, J. Chem. Phys., 135, 144306 (2011).

117. “Kinetic and Theoretical Investigations of the S + NO2 Reaction” K.M. Thompson, Y. Gao and

P. Marshall, Int. J. Chem. Kinet., 44, 90-99 (2012).

118. “Inhibition of Hydrogen Oxidation by HBr and Br2” G. Dixon-Lewis, P. Marshall, B.Ruscic, A.

Burcat, E. Goos, A. Cuoci, A. Frassoldati, T. Faravelli and P. Glarborg, Combust. Flame, 159,

528-540 (2012).

119. “Fuel-Nitrogen Conversion in the Combustion of Small Amines using Dimethylamine and

Ethylamine as Biomass-Related Model Fuels” A. Lucassen, K. Zhang, J. Warkentin, K.

Mohammad, P. Glarborg, P. Marshall and K. Kohse-Hoeinghaus, Combust. Flame., 159, 2254-

2279 (2012).

120. “Rate Constant for the Reaction C2H5 + HBr → C2H6 + Br” D.M. Golden, J. Peng, A. Goumri,

J. Yuan and P. Marshall, J. Phys. Chem. A, 116, 5847-5855 (2012).

121. “Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High

Pressure” V. Aranda, J. M. Christensen, M. U. Alzueta, P. Glarborg, S. Gersen, Y. Gao, P.

Marshall, Int. J. Chem. Kinet. 45, 283-294 (2013).

122. “Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO2” M. P.

Rissanen, D. Amedro, L. Krasnoperov, P. Marshall and R. S. Timonen, J. Phys. Chem. A 113,

793-805 (2013).

123. “Oxidation of Reduced Sulfur Species: Carbonyl Sulfide” P. Glarborg and P. Marshall, Int. J.

Chem. Kinet. 45, 429-439 (2013).

124. “Rate Constant and Branching Fraction for the NH2 + NO2 Reaction” S.J. Klippenstein, L.B.

Harding, P. Glarborg, Y. Gao, H. Hu and P. Marshall, J. Phys. Chem. A 117, 9011-9022 (2013).

20

125. “Kinetic studies of the reaction NH2 + H2S” Y. Gao and P. Marshall, Chem. Phys. Lett. 594,

30-33 (2014).

126. “Oxidation of Reduced Sulfur Species: Carbon Disulfide” P. Glarborg, B. Halaburt, P. Marshall,

A. Guillory, J. Troe, M. Thellefsen and K. Christensen, J. Phys. Chem. A 118, 6798–6809

(2014).

127. “Computational Study of the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 +

H2O → 2 HNO3” I. M. Alecu and P. Marshall, J. Phys. Chem. A 118, 11405-11416 (2014).

128. “Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation” P. Marshall and P.

Glarborg, Proc. Combust. Inst., 35, 153-160 (2015).

129. “Kinetic Studies of the Reaction of Atomic Sulfur with Acetylene” S. Ayling, Y. Gao and P.

Marshall, Proc. Combust. Inst., 35, 215-222 (2015).

130. “Rate Constant and Thermochemistry for K+O2+N2 = KO2+N2” T. Sorvajärvi, J. Viljanen, J.

Toivonen, P. Marshall and P. Glarborg, J. Phys. Chem. A, 119, 3329-3336 (2015).

131. “High-Temperature Kinetics of the Reaction between Chlorine Atoms and Hydrogen Sulfide” Y.

Gao, I. M. Alecu, A. Goumri and P. Marshall, Chem. Phys. Lett., 624, 83-86 (2015)

132. “Temperature- and Pressure-Dependence of the Reaction S + CS (+M) → CS2 (+M)” P.

Glarborg, P. Marshall and J. Troe, J. Phys. Chem. A, 119, 7277-7281 (2015).

133. “Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO +

HO2” N. Faßheber, G. Friedrichs, P. Marshall and P. Glarborg, J. Phys. Chem. A, 119, 7305-

7315 (2015).

134. “Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen

with Methanethiol” K.E. Kerr, I.M. Alecu, K.M. Thompson, Y. Gao and P. Marshall, J. Phys.

Chem. A, 119, 7352-7360 (2015).

135. “The Reaction Kinetics of Amino Radicals with Sulfur Dioxide” Y. Gao, P. Glarborg and P.

Marshall, Z. Phys. Chem., 229, 1649-1661 (2015).

136. “The Spin‐Forbidden Reaction of Ground-State Sulfur Atoms with Ethylene” K.M. Thompson,

Y. Gao and P. Marshall, Int. J. Chem. Kinet., 48, 124-130 (2016).

137. “Ammonia Oxidation at High Pressure and Intermediate Temperatures” Y. Song, H. Hashemi,

J.M. Christensen, C. Zou, P. Marshall and P. Glarborg, Fuel, 181, 358-365 (2016).

138. “Experimental and Kinetic Modeling Study of C2H2 Oxidation at High Pressure” J. Gimenez-

Lopez, C.T. Rasmussen, H. Hashemi, M. U. Alzueta, Y. Gao, P. Marshall, C. F. Goldsmith and

P. Glarborg, Int. J. Chem. Kinet., 48, 724-738 (2016).

21

139. “Relative Rate and Product Studies of the Reactions of Atomic Chlorine with

Tetrafluoroethylene, 1,2-Dichloro-1,2-difluoroethylene, 1,1-Dichloro-2,2-difluoroethylene, and

Hexafluoro-1,3-butadiene in the Presence of Oxygen” T.N. Herath, E.C. Clinch, I. Orozco, E.L.

Raign and P. Marshall, J. Phys. Chem. A, 120, 7311−7319 (2016).

140. “An Exploratory Flow Reactor Study of H2S Oxidation at 30-100 Bar” Y. Song, H. Hashemi,

J.M. Christensen, C. Zou, B.S. Haynes, P. Marshall and P. Glarborg, Int. J. Chem. Kinet., 49,

37-52 (2017).

141. “Importance of the Hydrogen Isocyanide Isomer in Modeling Hydrogen Cyanide Oxidation in

Combustion” P. Glarborg and P. Marshall, Energy Fuel, 31, 2156-2163 (2017).

142. “Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes” B. Kolb, P.

Marshall, B. Zhao, B. Jiang and H. Guo, J. Phys. Chem. A, 121, 2552-2557 (2017).

143. “Experimental and Theoretical Studies of the Reactions of Ground-State Sulfur Atoms with

Hydrogen and Deuterium” K.M. Thompson, Y. Gao, P. Marshall, H. Wang, L. Zhou, Y. Li and

H. Guo, J. Chem. Phys., 147, 134302 (2017).

144. "Relative Rate Studies of the Reactions of Atomic Chlorine with Acetone and Cyclic Ketones"

T.N. Herath, I. Orozco, E.C. Clinch and P. Marshall, Int. J. Chem. Kinet., 50, 41-46 (2018).

145. "Ab Initio Calculations and Kinetic Modeling of Thermal Conversion of Methyl Chloride:

Implications for Gasification of Biomass" M. Singla, M.L. Rasmussen, H. Hashemi, H. Wu, P.

Glarborg, M. Pelucchi, T. Faravelli and P. Marshall, Phys. Chem. Chem. Phys., 20, 10741-

10752 (2018).

146. "Global Warming Potential Estimates for the C1-C3 Hydrochlorofluorocarbons (HCFCs)

included in the Kigali Amendment to the Montreal Protocol" D.K. Papanastasiou, A. Beltrone, P.

Marshall and J.B. Burkholder, Atmos. Chem. Phys., 18, 6317-6330 (2018).

147. “Rate Coefficient Measurements and Theoretical Analysis of the OH + (E)-CF3CH═CHCF3

Reaction” M. Baasandorj, P. Marshall, R.L. Waterland, A.R. Ravishankara and J.B. Burkholder,

J. Phys. Chem. A, 122, 4635–4646 (2018).

22

ABSTRACTS, PROCEEDINGS & PAPERS PRESENTED:

103 papers and posters at professional meetings (presenting author(s) underlined):

1. Eastern Section of the Combustion Institute meeting, Philadelphia, PA: "Reaction Kinetics of

Sodium Atoms". D. Husain and P. Marshall. November 1985 (Paper).

2. Twenty-First Symposium (International) on Combustion, Munich, West Germany: "HTP

Kinetics Studies of Reactions between H Atoms and Nitrogenous Species over Wide

Temperature Ranges". P. Marshall and A. Fontijn. August 1986 (Poster).

3. Symposium on the Chemistry and Photophysics of Energetic Species, Los Angeles, CA:

"Reactions of H(D)/N/O Systems over Wide Temperature Ranges: Significance of Tunneling in

H-Atom Transfer". P. Marshall and A. Fontijn. September 1987 (Paper).

4. Second International Conference on Chemical Kinetics, National Institute of Standards and

Technology, Gaithersburg, MD: "Thermochemical and Kinetic Studies of the Recombination

Reaction Na + O2 + N2 from 590 to 1515 K by a Modified High-Temperature Photochemistry

Technique". P. Marshall, A. S. Narayan and A. Fontijn. July 1989 (Poster).

5. Eastern Section of the Combustion Institute, Albany, NY: "Thermochemical and Kinetic Studies

of the Recombination Reaction Na + O2 + N2 from 590 to 1515 K by a Modified High-

Temperature Photochemistry Technique". P. Marshall, A. S. Narayan and A. Fontijn. November

1989 (Paper).

6. The Texas Chemistry Forum, Austin, TX: "Kinetic Studies of Elementary Gas-Phase Reactions".

P. Marshall. May 1990 (Paper).

7. The Texas Chemistry Forum, Austin, TX: "Computational Studies of Si-N Bonding between

Silylenes and Amines". P. Marshall. May 1990 (Refereed) (Poster).

8. American Chemical Society Meeting, New York, NY: "Reactions of Boron and Aluminum

Atoms with Small Molecules". P. Marshall, P. B. O'Connor, W. Chan, P. V. Kristof and J. D.

Goddard. August 1991 (Paper).

9. Southwest Theoretical Chemistry Conference, Dallas, TX: "Reactions of Boron and Aluminum

Atoms with Small Molecules". P. Marshall, P. B. O'Connor, W. Chan, P. V. Kristof and J. D.

Goddard. November 1991 (Paper).

10. Southwest Theoretical Chemistry Conference, Dallas, TX: "The Interactions of H-Atoms with

SO2". D. Laakso, D. Binns and P. Marshall. November 1991 (Poster).

23

11. 12th International Symposium on Gas Kinetics, Reading, UK: "Experimental and Theoretical

Studies of Atomic, H, O and Halogen Reactions with Silanes". L. Ding, C. A. Taylor and P.

Marshall. July 1992 (Poster).

12. 12th International Symposium on Gas Kinetics, Reading, UK: "The Interaction of H Atoms with

Sulfur Dioxide". D. Laakso, D. Binns and P. Marshall. July 1992 (Poster).

13. American Physical Society (Texas Section), University of Texas - Pan American, Edinburg, TX:

"Accelerator Mass Spectrometry Studies of Highly Charged Molecular Ions". Y. D. Kim, S.

Matteson, J. L. Duggan, D. L. Weathers, D. K. Marble, F. D. McDaniel, P. Marshall, J. M.

Anthony and M. A. Douglas. March 1993 (Paper).

14. 3rd International Conference on Chemical Kinetics, Gaithersburg, MD: "Theoretical Studies of

the Oxidation of H2S and Thiyl Radicals". D. Laakso, C. E. Smith and P. Marshall. July 1993

(Poster).

15. 3rd International Conference on Chemical Kinetics, Gaithersburg, MD: "Kinetic and

Thermochemical Studies of Bimolecular Reactions of Silanes". A. Goumri, W-J. Yuan, L. Ding

and P. Marshall. July 1993 (Poster).

16. American Physical Society (Texas Section), Texas A&M University, College Station, TX: "Ab

Initio Results of Gaussian 92 for Highly Charged Molecular Ions". Y. D. Kim, S. Matteson, J. L.

Duggan, D. L. Weathers, F. D. McDaniel, P. Marshall and J. M. Anthony. October 1993 (Paper).

17. American Chemical Society, Washington, D.C.: "Kinetics and Thermochemistry of the Si(CH3)3

+ HBr = Si(CH3)3H + Br: Determination of the (CH3)3Si-H Bond Energy". L. N. Krasnoperov, I.

J. Kalinovski, D. Gutman, A. Goumri, W.-J. Yuan and P. Marshall. August 1994 (Poster).

18. 13th International Symposium on Gas Kinetics, Dublin, Ireland: "Kinetics and Thermochemistry

of the Si(CH3)3 + HBr = Si(CH3)3H + Br: Determination of the (CH3)3Si-H Bond Energy". L. N.

Krasnoperov, I. J. Kalinovski, D. Gutman, A. Goumri, W.-J. Yuan and P. Marshall. September

1994 (Poster).

19. American Physical Society (Texas Section), University of Texas at Austin, Austin, TX:

"Accelerator Mass Spectrometry Studies of Highly Charged Molecular Ions". Y. D. Kim, S.

Matteson, J. L. Duggan, D. L. Weathers, F. D. McDaniel, P. Marshall and J. M. Anthony.

October 1994 (Paper).

20. American Chemical Society Meeting-in-Miniature, Texas Wesleyan University: "The Kinetics of

the Reactions of Atomic Chlorine with H2S and HI". A. Misra and P. Marshall. April 1995

(paper).

24

21. AFOSR Program Review on Safe, Cost-Effective Alternative Materials and Processes , Wright-

Patterson AFB, OH: "Computational Modeling of Halon Alternatives". H. L. Paige, M.

Schwartz, P. Marshall and R.J. Berry. August 1995 (paper).

22. Eastern Section of the Combustion Institute, Worcester, MA: “Laser-Induced Fluorescence and

Mass-Spectrometric Studies of Cu + HCl and Cu + Cl2 Reactions at Incinerator Temperatures”.

D. P. Belyung, J. Hranisavljevic, G. M. Santana, A. Fontijn and P. Marshall. October 1995

(paper).

23. Gas Kinetics Discussion Group, Loughborough (UK): “Experimental and Computational Studies

of the Kinetics of Iodine Compounds”. P. Marshall, W-J. Yuan, A. Misra and R. J. Berry.

January 1996 (paper).

24. 28th Central Regional Meeting of the American Chemical Society, Dayton, OH: “Ab Initio and

Transition State Calculations for the Reactions of Iodocarbons”. P. Marshall, A. Misra, W-J.

Yuan and R. J. Berry. June 1996 (paper).

25. 26th International Symposium on Combustion, Naples, Italy: “Kinetic and Mechanistic Studies

of the Reaction of Hydroxyl radicals with Acetaldehyde over an Extended Temperature Range”.

P. H. Taylor, M. Sm. Rahman, A. Arif, B. Dellinger and P. Marshall. July 1996 (paper).

26. 26th International Symposium on Combustion, Naples, Italy: “Laser-Induced Fluorescence and

Mass-Spectrometric HTFFR Studies of the Cu + HCl and Cu + Cl2 Reactions at Incinerator

Temperatures. Formation of HCuCl”. D. P. Belyung, J. Hranisavljevic, O. E. Kashireninov, G.

M. Santana, A. Fontijn and P. Marshall. July 1996 (poster).

27. 26th International Symposium on Combustion, Naples, Italy: “The Heat of Formation of IO and

Kinetics and Branching Ratios for the Reactions of CH3I with H, O and OH”. P. Marshall, A.

Misra and R. J. Misra. July 1996 (poster).

28. 212th American Chemical Society National Meeting, Orlando, FL: “Ab Initio Calculations and

Kinetic Modeling”. R. J. Berry, M. Schwartz and P. Marshall. August 1996 (paper).

29. 14th International Gas Kinetics Symposium. Leeds, UK: “Investigations of the Reactions of OH,

H and O with CF3I and the Heat of Formation of HOI: Comparisons with CH3I and C2H5I”. R. J.

Berry, W.-J. Yuan, A. Misra and P. Marshall. September 1996 (paper).

30. 14th International Gas Kinetics Symposium. Leeds, UK: “Ab Initio Studies of the Reactions of H

and OH with Chlorofluoromethanes”. P. Marshall, M. Schwartz, C. Ehlers and R. J. Berry.

September 1996 (poster).

31. 14th International Gas Kinetics Symposium. Leeds, UK: “Experimental and Theoretical Studies

of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature range”.

P. H. Taylor, M. Sm. Rahman, M. Arif, B. Dellinger and P. Marshall. September 1996 (poster).

25

32. 14th International Gas Kinetics Symposium. Leeds, UK: “Laser-Induced Fluorescence and

Mass-Spectrometric Studies of Copper Atom Reactions over Wide Temperature Ranges”. D. P.

Belyung, J. Hranisavljevic, O. E. Kashireninov, G. M. Santana, A. Fontijn and P. Marshall

September 1996 (poster).

33. 29th

Central Regional Meeting of the American Chemical Society. Midland, MI: “Computational

Study of C-H Bond Strengths in Fluoro- and Chloro-Alkanes.” T. Uwimpuhwe, R. J. Berry, M.

Schwartz and P. Marshall. May 1997 (paper).

34. 29th

Central Regional Meeting of the American Chemical Society. Midland, MI: “Kinetics and

Unusual Products of the Reactions of Oxygen Atoms with Alkyl Iodides”. R. J. Berry, A. Misra

and P. Marshall. May 1997 (paper).

35. 1997 Halon Option Technical Working Conference. Albuquerque, NM: “Elementary Reactions

and a Mechanism for the Suppression of Hydrogen Fires by CF3I”, P. Marshall, A. Misra, J.

Yuan, R. Berry and A. McIlroy. May 1997 (poster).

36. 4th

International Conference on Chemical Kinetics. NIST, Gaithersburg, MD: “The kinetics of

elementary reactions of CF3Br and CF3I with H, OH, O and CH3 radicals: experiments, ab initio

calculations and implications for combustion chemistry”, J. Yuan, A. Misra, L. Wells, S.

Hawkins, A. Krishnan, R. B. Nathuji, P. Marshall and R. Berry. July 1997 (paper).

37. 3rd

Symposium on Halon Replacements, Wright-Patterson AFB, OH: “The kinetics of

elementary reactions of CF3Br and CF3I with H, OH, O and CH3 radicals: experiments, ab initio

calculations and implications for combustion chemistry”, J. Yuan, A. Misra, L. Wells, S.

Hawkins, A. Krishnan, R. B. Nathuji, P. Marshall and R. Berry. July 1997 (paper).

38. 27th International Symposium on Combustion, Boulder, CO: “Inhibition of Non-Premixed

Flames by CF3Br”, L. Truett, H. Thermann, D. Trees, K. Seshadri, J. Yuan, L. Wells and P.

Marshall. August 1998 (paper).

39. 27th International Symposium on Combustion, Boulder, CO: “Hydrogen Flame Suppression by

CF3I”, A. McIlroy, B. Brady and P. Marshall. August 1998 (poster).

40. Southwest Theoretical Chemistry Conference, Denton, TX: “How Accurately Can We Calculate

Gas-Phase Rate Constants Ab Initio?”, J. Peng, X. Hu and P. Marshall. November 1998 (paper).

41. Southwest Theoretical Chemistry Conference, Denton, TX: “Computational Studies of Proton

Abstraction Reactions by Hydroxyl Radicals”, M. Schwartz, P. Marshall, R. J. Berry and G. A.

Petersson. November 1998 (paper).

42. 6th International Congress on Toxic Combustion Byproducts, Karlsruhe, Germany: “Mechanistic

Studies of the Reaction of Hydroxyl Radicals with Trichloroethylene and Tetrachloroethylene”,

L. B. Tichenor, T. Yamada, P. H. Taylor and P. Marshall. June 1999 (paper).

26

43. 16th International Symposium on Gas Kinetics, Cambridge, UK: “Radical Removal in Flames by

Sulfur Chemistry”, P. Marshall and A. Goumri. July 2000 (paper).

44. 16th International Symposium on Gas Kinetics, Cambridge, UK: “Modified Transition State

Theory and Negative Apparent Activation Energies of Simple Metathesis Reactions”, L.N.

Krasnoperov, J. Peng and P. Marshall. July 2000 (poster).

45. 16th International Symposium on Gas Kinetics, Cambridge, UK: “Reaction of Hydroxyl

Radicals with Trichloroethylene: Evidence for Chlorine Elimination Channels at Elevated

Temperatures”, L. B. Tichenor, A. J. Lozada-Ruiz, T. Yamada, A. El-Sinawi, P. H. Taylor, J.

Peng, X. Hu and P. Marshall. July 2000 (poster).

46. 16th International Symposium on Gas Kinetics, Cambridge, UK: “The Kinetics and

Thermochemistry of the Ethyl Radical + HBr Reaction”, J. Peng, A. Goumri, J. Yuan and P.

Marshall. July 2000 (poster).

47. 28th International Symposium on Combustion, Edinburgh, UK: “The Kinetics and

Thermochemistry of the Ethyl Radical + HBr Reaction”, J. Peng, A. Goumri, J. Yuan and P.


48. 28th International Symposium on Combustion, Edinburgh, UK: “Reaction of Hydroxyl Radicals

with Trichloroethylene: Evidence for Chlorine Elimination Channels at Elevated Temperatures”,

L. B. Tichenor, A. J. Lozada-Ruiz, T. Yamada, A. El-Sinawi, P. H. Taylor, J. Peng, X. Hu and P.


49. 5th International Conference on Chemical Kinetics, Gaithersburg, MD: “The Kinetics of

Reactions of H Atoms with Halogenated Ethylenes”, X. Hu, A. Goumri and P. Marshall. July

2001 (paper).

50. 5th International Conference on Chemical Kinetics, Gaithersburg, MD: “Rate Coefficients and

Mechanistic Analysis for Reaction of OH with Vinyl Chloride between 292 and 730 K”, T.

Yamada, M. Siraj, P.H. Taylor, J. Peng, X. Hu and P. Marshall. July 2001 (paper).

51. Workshop on Laboratory Studies of Upper Troposphere/Lower Stratosphere Processes,

Breckenridge, CO: “Ab Initio Studies of Iodine Compounds: Kinetics and Thermochemistry in

the Atmosphere”, P. Marshall. July 2001 (poster).

52. 25th Informal Conference on Photochemistry, Miami, FL: “The Reaction of OH with Acetone

and Acetone-d6”, A. Goumri, P. Marshall, T. Yamada and P.H. Taylor. June 2002 (paper).

53. 25th Informal Conference on Photochemistry, Miami, FL: “Kinetic Studies of the Reaction of

Hydroxyl Radicals with Acetaldehyde”, T. Yamada, P.H. Taylor, A. Goumri and P. Marshall.

June 2002 (paper).

27

54. 25th Informal Conference on Photochemistry, Miami, FL: “Atmospheric Degradation of 1-

Bromopropane”, M. K. Gilles, J. B. Burkholder, T. Gierczak, P. Marshall and A. R.

Ravishankara. June 2002 (paper).

55. 30th International Symposium on Combustion, Chicago, IL: “A Kinetic Study of the Reaction of

Atomic Oxygen with SO2”, J. Naidoo, A. Goumri and P. Marshall. July 2004 (paper).

56. 18th International Symposium on Gas Kinetics, Bristol, UK: “Addition Reactions of Sulfur

Species: S + NO, O + SO2, and S + N2O”, A .Goumri, J. Naidoo, E.J. Mitchell, Y. Gao, D.D.

Shao and P. Marshall. August 2004 (paper).

57. 18th International Symposium on Gas Kinetics, Bristol, UK: “Reactions of H/SO2 adducts with

Atomic Hydrogen”, X. Hu and P. Marshall. August 2004 (poster).

58. 228th National American Chemical Society Meeting, Philadelphia, PA: “Reaction of OH with

Acetaldehyde and Deuterated Acetaldehyde: Reexamination of the Reaction Mechanism”, T.

Yamada, P.H. Taylor, A. Goumri and P. Marshall. August 2004 (poster).

59. Southwest Regional American Chemical Society Meeting, Fort Worth, TX: “A Computational

Study of the Thermochemistry of Bromine and Iodine-Containing Methanes and Methyl

Radicals”, P. Marshall, G.N. Srinivas and M. Schwartz. September 2004 (paper).

60. 229th

National American Chemical Society Meeting, San Diego, CA: “Kinetics Study of the

Reaction between Sulfur Dioxide and Atomic Hydrogen” B.P. Morgan and P. Marshall. March

2005 (poster).

61. 4th

Joint Meeting of the U.S. sections of the Combustion Institute, Philadelphia, PA:

“Mechanisms of Radical Removal by SO2” P. Glarborg and P. Marshall. March 2005 (paper).

62. 6th

International Conference on Chemical Kinetics, Gaithersburg, MD: “Kinetics and

Thermochemistry of the Addition of Atomic Chlorine to Acetylene” Y. Gao, I.M. Alecu, P-C.

Hsieh, A.P. McLeod, C.B. McLeod, M.W. Jones and P. Marshall. July 2005 (paper).

63. 6th

International Conference on Chemical Kinetics, Gaithersburg, MD: “The Reaction of OH

with Acetaldehyde and Deuterated Acetaldehyde: Further Insights into the Reaction Mechanism

at both Low and Elevated Temperatures” P.H. Taylor, T. Yamada, A. Goumri and P. Marshall.

July 2005 (poster).

64. 6th

International Conference on Chemical Kinetics, Gaithersburg, MD: “Spin-Forbidden

Association Reactions in Sulfur Chemistry: Comparison of O + SO2 and S + NH3 Addition with

Spin-Allowed S + NO Recombination” A. Goumri, J. Naidoo, Y. Gao, D.D. Shao and P.

Marshall. July 2005 (paper).

28

65. 39th

Annual Meeting-in-Miniature, American Chemical Society Dallas-Fort Worth Section,

Texas Woman’s University, Denton, TX: “The Gas-Phase Reaction of Phenyl Radicals with

Hydrogen Chloride” D. Hu, I.M. Alecu, P-C. Hsieh, A. Ors, J. Sand, Y. Gao and P. Marshall.

April 2006 (paper).

66. 39th


Texas Woman’s University, Denton, TX: “Kinetics of the Addition of Atomic Chlorine to C2H4

and C6H6” C. Wu, J. Sand, I.M. Alecu, P-C. Hsieh, A. McLeod, K. Destefani, J. Kumar, P.

Shanthakumar, Y. Gao and P. Marshall. April 2006 (paper).

67. 39th


Texas Woman’s University, Denton, TX: “Kinetics and Thermochemistry of the Addition of

Hydrogen Atoms to Acetylene” P.V. Khade, Y. Gao, C. McLeod, A. Ganesh, I.M. Alecu and P.

Marshall. April 2006 (paper).

68. 39th


Texas Woman’s University, Denton, TX: “Kinetics and Thermochemistry of the Addition of

Atomic Chlorine to Acetylene” A. McLeod, Y. Gao, I.M. Alecu, P-C. Hsieh, C. McLeod, M.

Jones and P. Marshall. April 2006 (paper).

69. 7th

Informal Conference on Atmospheric and Molecular Science, Helsingør, Denmark:

“Computational Studies of Nitrogen Compounds in the Atmosphere” P. Marshall. June 2006

(paper).

70. 31st International Symposium on Combustion, Heidelberg, Germany: “Kinetics and

Thermochemistry of the Addition of Atomic Chlorine to Acetylene”, Y. Gao, I.M. Alecu, P.-C.

Hsieh, A. McLeod, C. McLeod, M. Jones and P. Marshall. August 2006 (paper).

71. 31st International Symposium on Combustion, Heidelberg, Germany: “Mechanisms of radical

removal by SO2”, C.L. Rasmussen, P. Glarborg and P. Marshall. August 2006 (paper).

72. 31st International Symposium on Combustion, Heidelberg, Germany: “Metal ion-molecule

kinetics at combustion temperatures: The reaction of Ca+ with O2”, B. Cosic, A. Ermoline, A.

Fontijn and P. Marshall. August 2006 (paper).

73. Southwest Regional American Chemical Society Meeting, Houston, Texas: “Computational

Studies of Some Atmospheric Chemistry of Iodine Oxides”, P. Marshall. October 2006 (paper).

74. 32nd International Symposium on Combustion, Montreal, Canada: “Experimental

and kinetic modeling study of C2H4 oxidation at high pressure”, J. G. Lopez, C. L. Rasmussen,

M. U. Alzueta, P. Marshall, P. Glarborg. August 2008 (paper).

29

75. 32nd International Symposium on Combustion, Montreal, Canada: “Kinetic studies

of chlorobenzene reactions with hydrogen atoms and phenyl radicals and the thermochemistry

of 1-chloroyclohexadienyl radicals.”, Y. Gao and P. Marshall. August 2008 (paper).

76. 32nd International Symposium on Combustion, Montreal, Canada: “Kinetics in the C6H7 system:

abstraction and addition reactions of H atoms with benzene, and reaction of phenyl with H2”, Y.

Gao and P. Marshall. August 2008 (poster).

77. 237th

American Chemical Society Meeting, Salt Lake City, Utah: “The gas-phase reactions of

atomic chlorine with ethylene: experiments and computations”, I. M. Alecu, K. E. Kerr, K.

Thompson, N. Wallace, Y. Gao and P. Marshall. March 2009 (poster).

78. 239th

American Chemical Society Meeting, San Francisco, California: “Kinetics and

thermochemistry of the reaction of atomic hydrogen with carbon disulfide”, K. E. Kerr, Y. Gao

and P. Marshall. March 2010 (poster).

79. 33rd International Symposium on Combustion, Beijing, China: “High pressure oxidation of

C2H4/NO mixtures”, J. Giménez-López, M.U. Alzueta, C.T. Rasmussen, P. Marshall and P.

Glarborg. August 2010 (paper).

80. 33rd International Symposium on Combustion, Beijing, China: “Kinetic and modeling studies of

the reaction S + H2S”, Y. Gao, C. Zhou, K. Sendt, B.S. Haynes and P. Marshall. August 2010

(paper).

81. 21st International Symposium on Gas Kinetics, Leuven, Belgium: “Spin-forbidden chemistry in

the reactions of sulfur atoms with H2 and H2S”, Y. Gao, K. Thompson, A. Guillory, C. Zhou, K.

Sendt, B. S. Haynes and P. Marshall. August 2010 (paper).

82. 21st International Symposium on Gas Kinetics, Leuven, Belgium: “On understanding the

temperature dependence of the rate constant for the reaction C2H5 + HBr → C2H6 + Br”, D.M.

Golden, J. Peng, A. Goumri, J. Yuan and P. Marshall. August 2010 (poster).

83. 2010 South West Theoretical Chemistry Conference, Denton, Texas: “Studies of sulfur

chemistry in the gas phase: are there any favorable spin-allowed processes?”, P. Marshall, Y.

Gao, A. Goumri, B. S. Haynes, K. E. Kerr, J. Naidoo, K. Sendt, K. M. Thompson and C. Zhou.

October 2010 (paper).

84. 2010 South West Theoretical Chemistry Conference, Denton, Texas: “Computational studies of

the S + CO2 potential energy surface”, A. Guillory, Y. Gao and P. Marshall. October 2010

(poster).

85. 2010 South West Theoretical Chemistry Conference, Denton, Texas: “Computational study of

the CN + 3SO potential energy surface”, S. Ayling, Y. Gao and P. Marshall. October 2010

(poster).

30

86. 7th

International Conference Chemical Kinetics, Cambridge, Massachusetts: “Kinetic and

Theoretical Investigations of the S + NO2 Reaction”, K.M. Thompson, Y. Gao and P. Marshall.

July 2011 (poster).

87. 7th

International Conference Chemical Kinetics, Cambridge, Massachusetts: “Reactions of Sulfur

Atoms with H2 and CS2: The Importance of Spin-Forbidden Pathways”, P. Marshall, Y. Gao,

K.M. Thompson and A. Guillory. July 2011 (paper).

88. 7th

International Conference Chemical Kinetics, Cambridge, Massachusetts: “On Understanding

the Temperature Dependence of the Rate Constant for the Reaction C2H5 + HBr → C2H6 + Br”,

D.M. Golden, J. Peng, A. Goumri, J. Yuan and P. Marshall. July 2011 (paper).

89. 22nd

International Symposium on Gas Kinetics, Boulder, Colorado: “Kinetic Studies of the

Reactions of NH2 Radicals with H2S and SO2: Differing Roles for Bound Intermediates”, Y. Gao

and P. Marshall. June 2012 (paper).

90. 22nd

International Symposium on Gas Kinetics, Boulder, Colorado: “Kinetics Studies of the

Reaction of Atomic Sulfur with Acetylene”, S. Ayling, Y. Gao and P. Marshall. June 2012

(poster).

91. 2013 Southwest Regional Meeting of the American Chemical Society, Waco, Texas “Kinetic

Spectroscopy of Sulfur Species”, Y. Gao, S. Ayling, K. Thompson and P. Marshall. August 2013

(paper).

92. 35th International Symposium on Combustion, San Francisco, CA: “Kinetic Studies of the

Reaction of Atomic Sulfur with Acetylene” S. Ayling, Y. Gao and P. Marshall. August 2014

(paper).

93. 35th International Symposium on Combustion, San Francisco, CA: “Ab Initio and Kinetic

Modeling Studies of Formic Acid Oxidation” P. Marshall and P. Glarborg. August 2014 (paper).

94. Southwest Regional Meeting 2014 of the American Chemical Society, Fort Worth, TX :

“Accurate computation of the thermochemistry of dinitrogen pentoxide and the kinetics of its

hydrolysis using the multi-structural method for torsional anharmonicity (MS-T) and multi-

structural canonical variational transition state theory with multidimensional tunneling (MS-

CVT/MT)” I. M Alecu and P. Marshall. November 2014 (paper).

95. 9th International Conference on Chemical Kinetics, Ghent, Belgium: “The Spin-Forbidden

Reaction of Atomic Sulfur with Ethylene” K. M. Thompson, Y. Gao and P. Marshall. June 2015

(poster).

96. 9th International Conference on Chemical Kinetics, Ghent, Belgium: “A Computational Study of

the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 + H2O → 2 HNO3” P.

Marshall and I.M. Alecu. June 2015 (poster).

31

97. 9th International Conference on Chemical Kinetics, Ghent, Belgium: “Reactions of NH2 with

Formaldehyde, Hydrogen Peroxide and Hydrazine: A Challenge to Theory” Y. Gao, I.M. Alecu

and P. Marshall. June 2015 (paper).

98. 33rd International Symposium on Free Radicals, Olympic Valley, California: “A Detailed

Mechanism for Glyoxal Oxidation: HO2 + OCHCHO and HCO + O2 Rate Constant Data” G.

Friedrichs, N. Faßheber, P. Marshall and P. Glarborg. August 2015 (poster).

99. 24th

International Symposium on Gas Kinetics and Related Phenomena, York, UK: “Analysis of

NH2 + H2O2 ⇄ NH3 +HO2 and NH2O+O2 ⇄ HNO + HO2 Kinetics and Modeling” I.M. Alecu,

Y. Gao, Y. Song, H. Hashemi, J. M. Christensen, C. Zhou, P. Marshall and P. Glarborg. July

2016 (paper).

100. 10th

International Conference on Chemical Kinetics, Chicago, IL: “High Pressure Oxidation of

C2H2/NOx Mixtures” M. Abián, J. Giménez-López, M.U. Alzueta, C.T. Rasmussen, P. Glarborg

and P. Marshall. May 2017 (paper).

101. 10th

International Conference on Chemical Kinetics, Chicago, IL: “Formation of Sulfuric Acid

from Equilibrium and Non-Equilibrium Sulfur Trioxide” P. Marshall. May 2017 (paper).

102. 10th

International Conference on Chemical Kinetics, Chicago, IL: “Kinetics of Reactions of

Atomic Chlorine with Ketones” T.N. Herath, E.C. Clinch, I. Orozco and P. Marshall. May 2017

(poster).

103. 35th International Symposium on Combustion, Dublin, Ireland: “The C2H2 + NO2 Reaction:

Implications for High Pressure Oxidation of C2H2/NOx Mixtures” P. Marshall, C. Leung, J.

Gimenez-Lopez, C.T. Rasmussen, H. Hashemi; P. Glarborg, M. Abian, M.U. Alzueta. July 2018

(paper).

32

49 invited seminars:

1. University of Cambridge, UK: "Reaction Kinetics of Sodium Atoms". May 1985.

2. Ballistic Research Laboratory (Aberdeen Proving Ground), MD: "Reaction Kinetics of Sodium

Atoms". November 1985.

3. Brookhaven National Laboratory, NY: "Reaction Kinetics of Sodium Atoms". November 1985.

4. Capital District Chemical Kinetics Group (Rensselaer Polytechnic Institute), NY: "Reaction

Kinetics of Sodium Atoms". December 1985.

5. Rosenstiel School of Marine and Atmospheric Science (University of Miami), FL: "Non-

Arrhenius Behavior in Gas-Phase Chemical Kinetics". January 1987.

6. Capital District Chemical Kinetics Group (State University of New York at Albany), NY: "Non-

Arrhenius Behavior in Gas-Phase Chemical Kinetics". January 1987.

7. Rensselaer Polytechnic Institute, NY: "Elementary Reactions in Combustion". July 1987.

8. Wright State University, OH: "Studies of Elementary Reactions over Wide Temperature

Ranges". January 1988.

9. University of Miami, FL: "Studies of Elementary Reactions over Wide Temperature Ranges".

January 1988.

10. University of North Texas, TX: "Studies of Elementary Reactions over Wide Temperature

Ranges". March 1988.

11. University of South Florida, FL: "Studies of Elementary Reactions over Wide Temperature


12. Cleveland State University, OH: "Studies of Elementary Reactions over Wide Temperature


13. University of Texas at Dallas, TX: "Studies of Elementary Reactions over Wide Temperature

Ranges". September 1988.

14. University of North Texas, TX: "The Temperature Dependence of Gas-Phase Reactions:

Breakdown of the Arrhenius Law". February 1989.

15. Naval Research Laboratory (Washington), D.C.: "Studies of Elementary Reactions over Wide

Temperature Ranges". July 1989.

33

16. Union College, NY: "High-Temperature Kinetics Studies of Elementary Reactions". November

1989.

17. Skidmore College, NY: "High-Temperature Kinetics Studies of Elementary Reactions".

November 1989.

18. Williams College, MA: "High-Temperature Kinetics Studies of Elementary Reactions".

November 1989.

19. Baylor University, TX: "Experimental and Theoretical Studies of Gas-Phase Kinetics". March

1992.

20. Oklahoma State University, OK: "The Gas-Phase Kinetics of Boron and Aluminum". September

1992.

21. University of North Texas, TX: "Studies of Reaction Kinetics in the Gas Phase". December

1992.

22. The University of Texas at Austin, TX: "Studies of Radical Reactions with SiH4 and Si2H6 in the

Gas Phase", March 1994.

23. University of Houston, TX: "Gas-Phase Kinetics Studies of Metal and Silicon-Containing

Species", September 1994.

24. East Texas State University, TX: "Gas-Phase Kinetics Studies of Metal and Silicon-Containing

Species", March 1995.

25. Austin College, TX: "Gas-Phase Kinetics Studies of Metal and Silicon-Containing Species",

April 1995.

26. Wright Laboratory, Wright-Patterson AFB, OH: "Computational Studies of the Reaction

Kinetics of Flame Suppression", July 1995.

27. Wright Laboratory, Wright-Patterson AFB, OH: "Modeling of Suppression Chemistry", July

1996.

28. Wright Laboratory, Wright-Patterson AFB, OH: "Investigations of the Reactions of OH, H and

O with CF3I and the Heat of Formation of HOI: Comparisons with CH3I and C2H5I", August

1996.

29. University of Texas at Austin, TX: “Reaction Kinetics of Iodine in Flames and the Atmosphere:

Experiments and Ab Initio Calculations”, March 1999.

34

30. Texas A & M - Commerce, TX: “Toward Environmentally-Safe Fire Extinguishers: The

Atmospheric and Flame-Inhibition Chemistry of Halogenated Compounds”, April 2000.

31. University of North Texas, Denton, TX: “From Fire Extinguishers to Microchips: Kinetic

Studies of Halogen Compounds”, October 2000.

32. The University of Texas at Arlington, TX: “From Fire Extinguishers to Microchips: Kinetic


33. Angelo State University, San Angelo, TX: “From Fire Extinguishers to Microchips: Kinetic


34. Hendrix College, Conway, AR: “From Fire Extinguishers to Microchips: Kinetic Studies of

Halogen Compounds”, November 2001.

35. Southwest Texas State University, San Marcos, TX: “From Fire Extinguishers to Microchips:

Kinetic Studies of Halogen Compounds”, April 2002.

36. Wesleyan University, Middletown, CT: “From Fire Extinguishers to Microchips: Kinetic Studies

of Halogen Compounds”, October 2002.

37. Texas Womans University, Denton, TX: “From Fire Extinguishers to Microchips: Kinetic

Studies of Halogen Compounds”, September 2003.

38. New Mexico Tech, Socorro, NM: “Ab Initio Calculations and Experiments in Atmospheric and

Combustion Chemistry”, April 2004.

39. University of North Texas, Denton, TX: “Studies of Combustion: Theory and Experiments”,

November 2005.

40. University of Leeds, UK: “Elementary Reactions in Sulfur Chemistry”, March 2009.

41. University of Oslo, Norway: “Forbidden Chemistry of Sulfur: Towards a Mechanism for

Combustion”, June 2009.

42. University of Copenhagen, Denmark: “Forbidden Chemistry of Sulfur: Towards a Mechanism

for Combustion”, June 2009.

43. CNRS Orleans, France: “Forbidden Chemistry of Sulfur: Towards a Mechanism for

Combustion”, July 2009.

44. University of Sydney, Australia: “Forbidden Chemistry of Sulfur: Towards a Mechanism for

Combustion”, November 2009.

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45. University of North Texas, Denton, TX: “Forbidden Chemistry of Sulfur: Towards a Mechanism

for Combustion”, April 2010.

46. Stephen F. Austin State University, Nacogdoches, TX: “Forbidden Chemistry of Sulfur: Towards

a Mechanism for Combustion”, February 2011.

47. LeTourneau University, Longview, TX: “Forbidden Chemistry of Sulfur in the Gas Phase”,

September 2011.

48. Texas Lutheran University, Seguin, TX: “Forbidden Chemistry of Sulfur in the Gas Phase”,

September 2012.

49. University of New Mexico, Albuquerque, NM: “Forbidden Chemistry of Sulfur in the Gas

Phase”, February 2014.

PAUL MARSHALL - CURRICULUM VITAE file1987-1988 Adjunct Assistant Prof. Dept. of Chemical Engineering...

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Transcript of PAUL MARSHALL - CURRICULUM VITAE file1987-1988 Adjunct Assistant Prof. Dept. of Chemical Engineering...