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Improved General Understanding of the Hydrogen‐Bonding Phenomena: A Reply
Author(s) -
Weinhold F.,
Klein Roger A.
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201500262
Subject(s) - natural bond orbital , hydrogen bond , ab initio , computational chemistry , ion , density functional theory , charge (physics) , hydrogen , chemical physics , chemistry , chemical bond , materials science , physics , molecule , organic chemistry , quantum mechanics
Hydrogen bonds : Ab initio and hybrid density functional techniques were employed to characterize H‐bonded complexes between ions of like charge (see picture). Using natural bond orbital (NBO) analysis obvious graphical similarities between NBO interactions in the complexes and conventional hydrogen‐bonded species were shown.