Effects of intramolecular basis set superposition error on conformational energy difference of 1,2-difluoroethane and 1,2-dimethoxyethane

Bulletin of the Korean Chemical Society

Volumn 23, Issue 9, 2002, Pages 1267-1271

  Han, Young Kyu ^a   Kim, Kyoung Hoon ^a   Son, Sang Kil ^a   Lee, Yoon Sup ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

1,2 Difluoroethane; 1,2 Dimethoxyethane; Counterpoise correction; Intramolecular BSSE; MP2 calculations

Indexed keywords

1,2 DIFLUOROETHANE; ALKANE DERIVATIVE; ETHYLENE GLYCOL DIMETHYL ETHER; FLUORINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CONFORMATIONAL TRANSITION; COVALENT BOND; ENERGY TRANSFER; MOLECULAR DYNAMICS;

EID: 0037145151     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2002.23.9.1267     Document Type: Article

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