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Results: 1-10 |
Results: 10
Monte Carlo simulation of electron thermalization distribution in liquid hydrocarbons: Effects of inverse collisions and of an external electric field
Authors: Rassolov, VA Mozumder, A
Citation: Va. Rassolov et A. Mozumder, Monte Carlo simulation of electron thermalization distribution in liquid hydrocarbons: Effects of inverse collisions and of an external electric field, J PHYS CH B, 105(7), 2001, pp. 1430-1437
6-31Gbasis set for third-row atoms
Authors: Rassolov, VA Ratner, MA Pople, JA Redfern, PC Curtiss, LA
Citation: Va. Rassolov et al., 6-31Gbasis set for third-row atoms, J COMPUT CH, 22(9), 2001, pp. 976-984
Semiempirical models for image electrostatics. I. Bare external charge
Authors: Rassolov, VA Ratner, MA Pople, JA
Citation: Va. Rassolov et al., Semiempirical models for image electrostatics. I. Bare external charge, J CHEM PHYS, 114(5), 2001, pp. 2062-2066
The diagonal Born-Oppenheimer correction to molecular dynamical properties
Authors: Garashchuk, S Light, JC Rassolov, VA
Citation: S. Garashchuk et al., The diagonal Born-Oppenheimer correction to molecular dynamical properties, CHEM P LETT, 333(6), 2001, pp. 459-464
Q-chem 2.0: A high-performance ab initio electronic structure program package
Authors: Kong, J White, CA Krylov, AI Sherrill, D Adamson, RD Furlani, TR Lee, MS Lee, AM Gwaltney, SR Adams, TR Ochsenfeld, C Gilbert, ATB Kedziora, GS Rassolov, VA Maurice, DR Nair, N Shao, YH Besley, NA Maslen, PE Dombroski, JP Daschel, H Zhang, WM Korambath, PP Baker, J Byrd, EFC Van Voorhis, T Oumi, M Hirata, S Hsu, CP Ishikawa, N Florian, J Warshel, A Johnson, BG Gill, PMW Head-Gordon, M Pople, JA
Citation: J. Kong et al., Q-chem 2.0: A high-performance ab initio electronic structure program package, J COMPUT CH, 21(16), 2000, pp. 1532-1548
Reply to "Comment on 'Correlation holes in a spin-polarized dense electrongas"'
Authors: Rassolov, VA Pople, JA Ratner, MA
Citation: Va. Rassolov et al., Reply to "Comment on 'Correlation holes in a spin-polarized dense electrongas"', PHYS REV B, 62(3), 2000, pp. 2232-2235
Electron correlation in chemical bonds
Authors: Rassolov, VA Ratner, MA Pople, JA
Citation: Va. Rassolov et al., Electron correlation in chemical bonds, J CHEM PHYS, 112(9), 2000, pp. 4014-4019
Correlation holes in a spin-polarized dense electron gas
Authors: Rassolov, VA Pople, JA Ratner, MA
Citation: Va. Rassolov et al., Correlation holes in a spin-polarized dense electron gas, PHYS REV B, 59(24), 1999, pp. 15625-15631
An ab initio linear electron correlation functional
Authors: Rassolov, VA
Citation: Va. Rassolov, An ab initio linear electron correlation functional, J CHEM PHYS, 110(8), 1999, pp. 3672-3677
The relativistic Dirac-Coulomb-Fock effect on atomization energies
Authors: Kedziora, GS Pople, JA Rassolov, VA Ratner, MA Redfern, PC Curtiss, LA
Citation: Gs. Kedziora et al., The relativistic Dirac-Coulomb-Fock effect on atomization energies, J CHEM PHYS, 110(15), 1999, pp. 7123-7126
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