A new method for quick predicting the strength of intermolecular hydrogen bonds

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：franky_816

【摘要】

：

A new method is proposed to quick predict the strength of intermolecular hydrogen bonds.The method is employed to produce the hydrogen-bonding potential energy

【作者】

：

ChangLiang Sun (1) Yan Zhang

【机构】

：

1.DepartmentofChemistry

【出处】

：

中国科学：化学英文版

【发表日期】

：

2009年2期

【关键词】

：

INTERMOLECULAR hydrogen BONDS HYDROGEN-BONDED DIMER HYDROGEN-BONDING potential e

【基金项目】

：

Supported by the National Natural Science Foundation of China (Grants Nos.20573049 and 20633050),the research fund of the Educational Department of Liaoning Province (2004C019, 20060469)

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A new method is proposed to quick predict the strength of intermolecular hydrogen bonds.The method is employed to produce the hydrogen-bonding potential energy curves of twenty-nine hydro-gen-bonded dimers.The calculation results show that the hydrogen-bo

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