Recent developments for the quantum chemical investigation of molecular systems with high structural complexity
Molecular Modeling Using HPC and Gaussian: Density-Functional Theory and Noncovalent Interactions Gino A. DiLabio National Institute for Nanotechnology.
1 Benchmark performance on Bassi Jonathan Carter User Services Group Lead [email protected] NERSC User Group Meeting June 12, 2006.
Thermal Behavior – II Free Energy & Phase Diagrams [partly based on Chapter 7, Sholl & Steckel]
Benchmark performance on Bassi Jonathan Carter User Services Group Lead jtcarter@lbl
Molecular Modeling Using HPC and Gaussian: Density-Functional Theory and Noncovalent Interactions
![Thermal Behavior – II Free Energy & Phase Diagrams [partly based on Chapter 7, Sholl & Steckel]](https://static.fdocuments.us/doc/330x215/56815907550346895dc639c2/thermal-behavior-ii-free-energy-phase-diagrams-partly-based-on-chapter.jpg)