Ab initio calculations on some binary systems involving hydrogen bonds
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference23 articles.
1. Semi-empirical all valence electrons SCF–MO–CNDO theory. Part 6.—Effective field gradient and diagonal of population matrix
2. On the electronic structure of the hydrogen-bond: Formamide and its dimers
3. Hydrogen bonding ability of the amide group
4. Molecular orbital theory of the hydrogen bond. X. Monosubstituted carbonyls as proton acceptors
5. Optimized intermolecular potential functions for amides and peptides. Hydration of amides
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3. Can Quantum-Mechanical Calculations Yield Reasonable Estimates of Hydrogen-Bonding Acceptor Strength? The Case of Hydrogen-Bonded Complexes of Methanol;The Journal of Physical Chemistry A;2011-11-03
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