검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Quantum-Mechanical Geometry Optimization in Solution Using a Finite-Element Continuum Electrostatics Method Cortis CM, Langlois JM, Beachy MD, Friesner RA Journal of Chemical Physics, 105(13), 5472, 1996 |
| 2 |
A Generalized Direct Inversion in the Iterative Subspace Approach for Generalized Valence-Bond Wave-Functions Muller RP, Langlois JM, Ringnalda MN, Friesner RA, Goddard WA Journal of Chemical Physics, 100(2), 1226, 1994 |
| 3 |
New Pseudospectral Algorithms for Electronic-Structure Calculations - Length Scale Separation and Analytical 2-Electron Integral Corrections Greeley BH, Russo TV, Mainz DT, Friesner RA, Langlois JM, Goddard WA, Donnelly RE, Ringnalda MN Journal of Chemical Physics, 101(5), 4028, 1994 |
| 4 |
Rule-Based Trial Wave-Functions for Generalized Valence-Bond Theory Langlois JM, Yamasaki T, Muller RP, Goddard WA Journal of Physical Chemistry, 98(51), 13498, 1994 |