A coupled (hybrid) potential QM/MM/MD simulations in Amber Dr. Vladislav Vasilyev Supercomputer Facility The Australian National University.
Spray Training
Molecular Modeling Using HPC and Gaussian: Density-Functional Theory and Noncovalent Interactions Gino A. DiLabio National Institute for Nanotechnology.
Vallico Sotto July 20091 Bartolomeo Civalleri Theoretical Chemistry Group Department of Chemistry IFM & NIS Centre of Excellence University of Torino [email protected].
1.Solvation Models and 2. Combined QM / MM Methods See review article on Solvation by Cramer and Truhlar: Chem. Rev. 99, 2161-2200 (1999)
Institute for Plasma Physics Rijnhuizen PROTON TRANSFER IN NEUTRAL PEPTIDES EXAMINED BY CONFORMATIONAL SPECIFIC IR/UV SPECTROSCOPY Sander Jaeqx 67 th International.
Jason Crain School of Physics, University of Edinburgh, Edinburgh UK
THE MICROWAVE STUDIES OF GUAIACOL (2-METHOXYPHENOL), ITS ISOTOPOLOGUES & VAN DER WAALS COMPLEXES Ranil M. Gurusinghe, Ashley Fox and Michael J. Tubergen,
Solvation Models and 2. Combined QM / MM Methods
Molecular Modeling Using HPC and Gaussian: Density-Functional Theory and Noncovalent Interactions
