| 1 |
Development of a knowledge-based potential for crystals of small organic molecules: Calculation of energy surfaces for C=0 center dot center dot center dot H-N hydrogen bonds
Grzybowski BA, Ishchenko AV, DeWitte RS, Whitesides GM, Shakhnovich EI
Journal of Physical Chemistry B, 104(31), 7293, 2000 |
| 2 |
Smog - De-Novo Design Method Based on Simple, Fast, and Accurate Free-Energy Estimates .2. Case-Studies in Molecular Design
Dewitte RS, Ishchenko AV, Shakhnovich EI
Journal of the American Chemical Society, 119(20), 4608, 1997 |
| 3 |
Smog - De-Novo Design Method Based on Simple, Fast, and Accurate Free-Energy Estimates .1. Methodology and Supporting Evidence
Dewitte RS, Shakhnovich EI
Journal of the American Chemical Society, 118(47), 11733, 1996 |
| 4 |
Trigonal Bipyramidal and Related Molecules of the Main-Group Elements - Investigation of Apparent Exceptions to the Vsepr Model Through the Analysis of the Laplacian of the Electron-Density
Gillespie RJ, Bytheway I, Dewitte RS, Bader RF
Inorganic Chemistry, 33(10), 2115, 1994 |
