Premium
Three computational mise‐en‐scènes of red‐ and blue‐shifted hydrogen bonding motifs: Concept of negative intramolecular coupling—What else?
Author(s) -
Kryachko Eugene S.
Publication year - 2010
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22256
Subject(s) - intramolecular force , hydrogen bond , coupling (piping) , chemistry , hydrogen , quantum , computational chemistry , work (physics) , chemical physics , materials science , molecule , physics , stereochemistry , quantum mechanics , organic chemistry , metallurgy
This work is a kind of attempt to rethink some problems which are related to the blue‐shifted “hydrogen bonds” and which have been left in the past decade as not yet fully resolved. The impetus for such rethink is originated from the three computational mise‐en‐scènes on red‐ and blue‐shifted hydrogen bonding motifs, which are aimed to be thoroughly studied in this work, thus resolving the above problems. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010