Basis set effects on the stability of the Cl2O3 isomers using B3P86 and B3LYP methods of density functional theory

Journal of Molecular Structure: THEOCHEM

Volumn 460, Issue 1-3, 1999, Pages 19-25

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

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

Author keywords

Basis set; Chlorine oxide; Density functional theory; Equilibrium structure; Relative energy

Indexed keywords

CHLORINE DERIVATIVE; CHLORINE DIOXIDE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ENERGY TRANSFER; EQUILIBRIUM CONSTANT; ISOMERISM;

EID: 0002764067     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00269-3     Document Type: Article

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