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- W3151075992 abstract "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-bonding potential energy curves obtained from this method are in good agreement with those obtained from MP2/6-31+G calculations by including the BSSE correction,which demonstrate that the method proposed in this work can be used to calculate the hydrogen-bonding interactions in peptides." @default.
- W3151075992 created "2021-04-13" @default.
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- W3151075992 date "2009-01-01" @default.
- W3151075992 modified "2023-09-23" @default.
- W3151075992 title "A new method for quick predicting the strength of intermolecular hydrogen bonds" @default.
- W3151075992 hasPublicationYear "2009" @default.
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