| 1 |
Analytical energy gradients for local second-order Moller-Plesset perturbation theory
El Azhary A, Rauhut G, Pulay P, Werner HJ
Journal of Chemical Physics, 108(13), 5185, 1998 |
| 2 |
Orbital and shakeup operator renormalizations in electron propagator theory
Ortiz JV
Journal of Chemical Physics, 109(14), 5741, 1998 |
| 3 |
The 28-Electron Tetraatomic Molecules - N-4, Cn2O, Bfn2, C2O2, B2F2, Cbfo, C2Fn, and Bno2 - Challenges for Computational and Experimental Chemistry
Korkin AA, Balkova A, Bartlett RJ, Boyd RJ, Schleyer PV
Journal of Physical Chemistry, 100(14), 5702, 1996 |
| 4 |
The Accuracy of the Pseudopotential Approximation .1. An Analysis of the Spectroscopic Constants for the Electronic Ground-States of InCl and Incl3 Using Various 3 Valence Electron Pseudopotentials for Indium
Schwerdtfeger P, Fischer T, Dolg M, Igelmann G, Nicklass A, Stoll H, Haaland A
Journal of Chemical Physics, 102(5), 2050, 1995 |
| 5 |
Response Functions in the Cc3 Iterative Triple Excitation Model
Christiansen O, Koch H, Jorgensen P
Journal of Chemical Physics, 103(17), 7429, 1995 |
| 6 |
An Ab-Initio Study of the Structures and Harmonic Vibrational Frequencies of M(2)O(2) (M=al, Ga, in, Tl)
Archibong EF, Sullivan R
Journal of Physical Chemistry, 99(43), 15830, 1995 |
| 7 |
Oxidation-State +iv in Group 12 Chemistry - Ab-Initio Study of Zinc(IV), Cadmium(IV), and Mercury(IV) Fluorides
Kaupp M, Dolg M, Stoll H, Vonschnering HG
Inorganic Chemistry, 33(10), 2122, 1994 |
| 8 |
Origin of the Unique Stability of Condensed-Phase Hg22+ - An Ab-Initio Investigation of Mi and Mii Species (M=zn, Cd, Hg)
Kaupp M, Vonschnering HG
Inorganic Chemistry, 33(18), 4179, 1994 |
| 9 |
Ab-Initio Comparison of the (MX(2))(2) Dimers (M=zn, Cd, Hg X=f, Cl, H) and Study of Relativistic Effects in Crystalline Hgf2
Kaupp M, Vonschnering HG
Inorganic Chemistry, 33(21), 4718, 1994 |
| 10 |
Large Basis-Set Calculations Using Brueckner Theory
Kobayashi R, Amos RD, Handy NC
Journal of Chemical Physics, 100(2), 1375, 1994 |
