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Stoichiometric Valence and Structural Valence—Two Different Sides of the Same Coin: “Bonding Power”

✍ Scribed by Friedrich Liebau; Xiqu Wang; Waltrude Liebau


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
558 KB
Volume
15
Category
Article
ISSN
0947-6539

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A way of computing reliable and very compact ab initio classical valence bond wavefunctions is presented. The method deals with a minimal number of configuration-state functions (CSFs), with only one per Lewis structure necessary to describe the active part of a chemical system since each CSF is all