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» Valence bond theory for chemical dynamics
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JCC
2007
76views more  JCC 2007»
13 years 4 months ago
Valence bond theory for chemical dynamics
: This essay provides a perspective on several issues in valence bond theory: the physical significance of semilocal bonding orbitals, the capability of valence bond concepts to e...
Donald G. Truhlar
JCC
2007
71views more  JCC 2007»
13 years 4 months ago
A survey of recent developments in ab initio valence bond theory
Abstract: Starting from the 1980s and onwards, Valence Bond theory has been enjoying renaissance that is characterized by the development of a growing number of ab initio methods, ...
Philippe C. Hiberty, Sason Shaik
JCC
2007
162views more  JCC 2007»
13 years 4 months ago
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view
: This paper first comments on the surprisingly poor status that Quantum Chemistry has offered to the fantastic intuition of Lewis concerning the distribution of the electrons in ...
Jean-Paul Malrieu, Nathalie Guihéry, Carmen...