Ab initio quantum mechanical investigation of H2(A n+1X2n)H2 (A=C or Si, X=O or S, n = 1-2)]; energetics, molecular structures, and vibrational frequencies

Bulletin of the Korean Chemical Society

Volumn 26, Issue 1, 2005, Pages 119-126

  Choi, Kun Sik ^a   Kim, Hong Young ^a   Kim, Seung Joon ^a  

^a Hannam University   (South Korea)

Author keywords

Ab initio; Cyclodioxetane; Cyclodisiloxane; Cyclodithietane

Indexed keywords

1,2 DIOXETANE DERIVATIVE; 1,3 CYCLODISILOXANE; 1,3 CYCLODITHIETANE DERIVATIVE; 1,3 DIOXETANE DERIVATIVE; CARBON OXYGEN MONOCYCLE; OLIGOMER; SILICON DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DIMERIZATION; ENERGY TRANSFER; GEOMETRY; MASS SPECTROMETRY; QUANTUM MECHANICS; THERMODYNAMICS; VIBRATION; X RAY DIFFRACTION;

EID: 14544304070     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2005.26.1.119     Document Type: Article

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