Theoretica Chimica Acta
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Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB

1997 ◽  
Vol 95 (3-4) ◽  
pp. 131-150 ◽  
Author(s):  
Thorstein Thorsteinsson ◽  
David L. Cooper ◽  
Joseph Gerratt ◽  
Mario Raimondi
Keyword(s):  
Point Group ◽  
Valence Bond ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Symmetry Adaptation

On chiral pathways inE n : A dimensional analysis

1997 ◽  
Vol 95 (3-4) ◽  
pp. 63-65 ◽  
Author(s):  
Noham Weinberg ◽  
Kurt Mislow
Keyword(s):  
Dimensional Analysis

The delocalisation energy of benzene and the non-empirical MO theory

1997 ◽  
Vol 95 (3-4) ◽  
pp. 67-79
Author(s):  
Melvyn P. Melrose
Keyword(s):  
Mo Theory

Size-consistent single-reference methods for electronic correlation: a unified formulation through intermediate hamiltonian theory

1997 ◽  
Vol 95 (5) ◽  
pp. 215 ◽  
Author(s):  
José Sánchez-Marín ◽  
Ignacio Nebot-Gil ◽  
Jean Paul Malrieu ◽  
Jean Louis Heully ◽  
Daniel Maynau
Keyword(s):  
Electronic Correlation ◽  
Hamiltonian Theory ◽  
Reference Methods

An integral direct, distributed-data, parallel MP2 algorithm

1997 ◽  
Vol 95 (1) ◽  
pp. 13 ◽  
Author(s):  
Martin Schütz ◽  
Roland Lindh
Keyword(s):  
Distributed Data ◽  
Data Parallel
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