|
Volumn 112, Issue 16, 2012, Pages 2782-2786
|
Comprehensive study of the interaction between hydrogen halides and methanol derivatives
|
Author keywords
AIM; DFT calculations; intermolecular hydrogen bonds; NBO
|
Indexed keywords
AIM;
ATOMS IN MOLECULES;
BASIS SET SUPERPOSITION ERRORS;
COMPREHENSIVE STUDIES;
DFT CALCULATION;
ENERGETIC PARAMETERS;
GASPHASE;
H-BOND STRENGTH;
HYDROGEN HALIDES;
INTERMOLECULAR HYDROGEN BONDS;
INTERMOLECULAR INTERACTION ENERGIES;
NATURAL BOND ORBITAL;
NBO;
QUANTUM MECHANICAL COMPUTATIONS;
ZERO-POINT ENERGY CORRECTION;
COMPLEXATION;
DENSITY FUNCTIONAL THEORY;
HYDROGEN BONDS;
METHANOL;
QUANTUM THEORY;
THERMODYNAMIC PROPERTIES;
CHLORINE COMPOUNDS;
|
EID: 84863727576
PISSN: 00207608
EISSN: 1097461X
Source Type: Journal
DOI: 10.1002/qua.23298 Document Type: Article |
Times cited : (38)
|
References (28)
|