On the electrostatic directionality of N
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J.B.O. Mitchell; S.L. Price
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Article
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1989
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Elsevier Science
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English
⚖ 470 KB
The accessible minima in the electrostatic interaction energy of 29 bimolecular complexes containing N-H...O=C hydrogen bonds have been calculated, using ab initio distributed multipoles. The hydrogen bond geometries corresponding to these minima show the same statistical trends as found in crystal