Volume 85, Issue 6 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 85, Issue 6

June 1993

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5 articles in this issue

Energy analysis on small to medium sized H-bonded complexes
G. Dive
D. Dehareng
J. M. Ghuysen
OriginalPaper Pages: 409 - 421
The reduced multiplication scheme of the Rys-Gauss quadrature for 1st order integral derivatives
Roland Lindh
OriginalPaper Pages: 423 - 440
A combination of quasirelativistic pseudopotential and ligand field calculations for lanthanoid compounds
M. Dolg
H. Stoll
H. Preuss
OriginalPaper Pages: 441 - 450
A CSF-based multireference coupled pair approximation
Takeo Sakai
Kiyoshi Tanaka
OriginalPaper Pages: 451 - 461
Chemical valence from the two-particle density matrix
R. F. Nalewajski
A. M. Köster
K. Jug
OriginalPaper Pages: 463 - 484