검색결과 : 7건
| No. | Article |
|---|---|
| 1 |
Efficient pseudospectral methods for density functional calculations Murphy RB, Cao Y, Beachy MD, Ringnalda MN, Friesner RA Journal of Chemical Physics, 112(23), 10131, 2000 |
| 2 |
Correlated ab initio electronic structure calculations for large molecules Friesner RA, Murphy RB, Beachy MD, Ringnalda MN, Pollard WT, Dunietz BD, Cao YX Journal of Physical Chemistry A, 103(13), 1913, 1999 |
| 3 |
New Model for Calculation of Solvation Free-Energies - Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects Marten B, Kim K, Cortis C, Friesner RA, Murphy RB, Ringnalda MN, Sitkoff D, Honig B Journal of Physical Chemistry, 100(28), 11775, 1996 |
| 4 |
Pseudospectral Localized Moller-Plesset Methods - Theory and Calculation of Conformational Energies Murphy RB, Beachy MD, Friesner RA, Ringnalda MN Journal of Chemical Physics, 103(4), 1481, 1995 |
| 5 |
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 |
| 6 |
Pseudospectral Contracted Configuration-Interaction from a Generalized Valence-Bond Reference Murphy RB, Friesner RA, Ringnalda MN, Goddard WA Journal of Chemical Physics, 101(4), 2986, 1994 |
| 7 |
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 |