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On the directionality of halogen bonding

✍ Scribed by Huber, Stefan M.; Scanlon, Joseph D.; Jimenez-Izal, Elisa; Ugalde, Jesus M.; Infante, Ivan


Book ID
120280780
Publisher
Royal Society of Chemistry
Year
2013
Tongue
English
Weight
949 KB
Volume
15
Category
Article
ISSN
1463-9076

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On the electrostatic directionality of N
✍ J.B.O. Mitchell; S.L. Price πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 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