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, and by many applications to chemical reactivity and to the central paradigms of chemistry. Owing the increase of computational power of modern computers and to significant advances in the methodology, valence bond theory begins to offer a sound and attractive alternative to Molecular Orbital theory. This review aims at summarizing the most important developments of ab initio valence bond methods during the last two or three decades, and is primarily devoted to a description of what the various methods can actually achieve within their specific scopes and limitations. Key available softwares are surveyed. (C) 2006 Wiley Periodicals, Inc.
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Hebei Normal Univ, Coll Chem & Mat Sci, Inst Computat Quantum Chem, Shijiazhuang, Hebei, Peoples R China
Xiamen Univ, Coll Chem & Chem Engn, Fujian Prov Key Lab Theoret & Computat Chem, iChEM, Xiamen 361005, Peoples R China
Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, iChEM, Xiamen 361005, Peoples R ChinaHebei Normal Univ, Coll Chem & Mat Sci, Inst Computat Quantum Chem, Shijiazhuang, Hebei, Peoples R China
Zhang, Huaiyu
Wu, Wei
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Xiamen Univ, Coll Chem & Chem Engn, Fujian Prov Key Lab Theoret & Computat Chem, iChEM, Xiamen 361005, Peoples R China
Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, iChEM, Xiamen 361005, Peoples R ChinaHebei Normal Univ, Coll Chem & Mat Sci, Inst Computat Quantum Chem, Shijiazhuang, Hebei, Peoples R China
Wu, Wei
Mo, Yirong
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Western Michigan Univ, Dept Chem, Kalamazoo, MI 49008 USAHebei Normal Univ, Coll Chem & Mat Sci, Inst Computat Quantum Chem, Shijiazhuang, Hebei, Peoples R China