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Cooperative C≡C-H⋯O-H⋯O hydrogen bonding in a crystalline alkynol

✍ Scribed by K. Subramanian; S. Lakshmi; K. Rajagopalan; Thomas Steiner; Evgeni B. Starikov


Book ID
110432767
Publisher
Springer
Year
1998
Tongue
English
Weight
412 KB
Volume
28
Category
Article
ISSN
1572-8854

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On the electrostatic directionality of N
✍ J.B.O. Mitchell; S.L. Price 📂 Article 📅 1989 🏛 Elsevier Science 🌐 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