| 1 |
Locality and sparsity of ab initio one-particle density matrices and localized orbitals
Maslen PE, Ochsenfeld C, White CA, Lee MS, Head-Gordon M
Journal of Physical Chemistry A, 102(12), 2215, 1998 |
| 2 |
Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y-3 X and Y-3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds
Dobado JA, Martinez-Garcia H, Molina JM, Sundberg MR
Journal of the American Chemical Society, 120(33), 8461, 1998 |
| 3 |
Ab-Initio Study of Electronic, Structural, and Vibrational Properties of the Si4C Cluster
Zdetsis AD, Froudakis G, Muhlhauser M, Thumnel H
Journal of Chemical Physics, 104(7), 2566, 1996 |
| 4 |
Analysis of Large-Scale Multi-Configuration Self-Consistent-Field Wave-Functions by Expectation Values of Local Operators
Modl M, Dolg M, Fulde P, Stoll H
Journal of Chemical Physics, 105(6), 2353, 1996 |
| 5 |
Structural-Properties of ((Trichlorosilyl)Amino)Dichloroborane
Muhlhauser M, Gastreich M, Marian CM, Jungermann H, Jansen M
Journal of Physical Chemistry, 100(41), 16551, 1996 |
| 6 |
Characterization of Electronic-Structure in Molecules by One-Center Expansion Techniques - No 3-Center 4-Electron Bond in Pf5
Haser M
Journal of the American Chemical Society, 118(31), 7311, 1996 |
| 7 |
Molecular Mechanics Potential for Silica and Zeolite Catalysts Based on Ab-Initio Calculations .2. Aluminosilicates
Hill JR, Sauer J
Journal of Physical Chemistry, 99(23), 9536, 1995 |
| 8 |
A Comparative Ab-Initio Study of the Si2C4, Si3C3, and Si4C2 Clusters
Froudakis G, Zdetsis A, Muhlhauser M, Engels B, Peyerimhoff SD
Journal of Chemical Physics, 101(8), 6790, 1994 |
| 9 |
Molecular Mechanics Potential for Silica and Zeolite Catalysts Based on Ab-Initio Calculations .1. Dense and Microporous Silica
Hill JR, Sauer J
Journal of Physical Chemistry, 98(4), 1238, 1994 |
| 10 |
Principal Components of Ionicity
Meister J, Schwarz WH
Journal of Physical Chemistry, 98(33), 8245, 1994 |
