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Volumn 3, Issue 6, 2002, Pages 511-518
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Study of the nature of improper blue-shifting hydrogen bonding and standard hydrogen bonding in the X3CH ··· OH2 and XH ··· OH2 complexes (X = F, Cl, Br, I): A correlated ab initio study
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Author keywords
Ab initio calculations; Haloforms; Hydrogen bonds; Hydrogen halides; Improper blue shifting hydrogen bonds; Water complexes
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Indexed keywords
BLUE SHIFT;
BROMINE COMPOUNDS;
CALCULATIONS;
CARRIER CONCENTRATION;
CHARGE TRANSFER;
CHLORINE COMPOUNDS;
COMPLEXATION;
DOPPLER EFFECT;
ELECTRON DENSITY MEASUREMENT;
ELECTROSTATICS;
RED SHIFT;
AB INITIO CALCULATIONS;
BLUE SHIFTING HYDROGEN BONDS;
HALOFORMS;
HYDROGEN HALIDES;
WATER COMPLEXES;
HYDROGEN BONDS;
BROMOFORM;
CHLOROFORM;
FLUOROFORM;
IODOFORM;
PROTON;
WATER;
AB INITIO CALCULATION;
ACCURACY;
ANALYTIC METHOD;
ARTICLE;
BLUE LIGHT;
COMPLEX FORMATION;
CORRELATION ANALYSIS;
COVALENT BOND;
ELECTRON DENSITY TRANSFER;
HYDROGEN BOND;
PHYSICAL PARAMETERS;
PROTON TRANSPORT;
RED LIGHT;
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EID: 0037124737
PISSN: 14394235
EISSN: None
Source Type: Journal
DOI: 10.1002/1439-7641(20020617)3:6<511::AID-CPHC511>3.0.CO;2-Y Document Type: Article |
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Times cited : (97)
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References (17)
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