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Helping Students Assess the Relative Importance of Different Intermolecular Interactions

✍ Scribed by Jasien, Paul G.

Book ID
120491509
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
207 KB
Volume
85
Category
Article
ISSN
0021-9584

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## Abstract Intermolecular interaction energy decompositions using the Constrained Space Orbital Variation (CSOV) method are carried out at the Hartree–Fock level on the one hand and using DFT with usual GGA functionals on the other for a number of model complexes to analyze the role of electron co