AAAAAA

   
Results: 1-6 |
Results: 6

Authors: Lischka, H Shepard, R Pitzer, RM Shavitt, I Dallos, M Muller, T Szalay, PG Seth, M Kedziora, GS Yabushita, S Zhang, ZY
Citation: H. Lischka et al., High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density, PHYS CHEM P, 3(5), 2001, pp. 664-673

Authors: Curtiss, LA Raghavachari, K Redfern, PC Kedziora, GS Pople, JA
Citation: La. Curtiss et al., On comparison of experimental thermochemical data with G3 theory, J PHYS CH A, 105(1), 2001, pp. 227-228

Authors: Kedziora, GS Pople, JA Ratner, MA Redfern, PC Curtiss, LA
Citation: Gs. Kedziora et al., Scalar relativistic effects on energies of molecules containing atoms fromhydrogen through argon, J CHEM PHYS, 115(2), 2001, pp. 718-725

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

Authors: Kedziora, GS Schatz, GC
Citation: Gs. Kedziora et Gc. Schatz, Calculating dipole and quadrupole polarizabilities relevant to surface enhanced Raman spectroscopy, SPECT ACT A, 55(3), 1999, pp. 625-638

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
Risultati: 1-6 |