The effect of hydrogen bonding on structural parameters. VII. on the additivity of the bond length changes: an ab initio study of the dihydrated formamide molecule

Tor Ottersen, Anders Heiberg
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Abstract

The additivity of the effect of hydrogen bonding has been studied by ab initio calculations for two 1:2 formamide-water complexes, one where the formam

氢键对结构参数的影响。7键长变化的可加性:二水合甲酰胺分子的从头算研究
通过从头计算研究了两个1:2甲酰胺-水配合物氢键效应的可加性
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