Prediction of molecular dipole moments from bond moments: Testing of the method by DFT calculations on isolated molecules

Physical Chemistry Chemical Physics

Volumn , Issue , 2004, Pages 510-514

  Böhm, Stanislav ^a   Exner, Otto ^b  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ADAMANTANE DERIVATIVE; CHLORINE DERIVATIVE;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; DIPOLE; PREDICTION;

EID: 17744403091     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b312595p     Document Type: Article

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