|
Home >> Science >> Chemistry >> Computational >> People |
|
A word population has many different meanings:
| |
|
McCoy, Anne B. Theoretical studies of weakly bound clusters and of reaction dynamics in clusters and in solution. Pyykkö, Pekka Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments. Baer, Roi Electronic structure of large systems; quantum molecular dynamics simulations. Znamenskiy, Vasiliy S. Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids. Rohs, Remo Monte Carlo simulations of proteins and nucleic acids; ligand binding to nucleic acids. Nonella, Marco Density functional and ab initio studies of biologically relevant chromophores. Naidoo, Kevin J. Studies of macromolecular structure in condensed phases and in solution (University of Cape Town). Aspuru-Guzik, Alan Theoretical physical chemistry. In particular, interested in the electronic structure of atoms and molecules and in statistical mechanics. Stone, Anthony Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but accurate methods for describing intermolecular forces. Agrafiotis, Dimitris K. Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design. |
|
© 2005 GeneralAnswers.org