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Volumn 110, Issue 8, 2010, Pages 1489-1499

The gas phase hydrogen-bonded dimers of HOCl: A high-level quantum chemical study

Author keywords

AIM; Binding energy; Heat of formation; HOCl dimers; NBO

Indexed keywords

BASIS SETS; CBS-QB3; CCSD; GASPHASE; HEAT OF FORMATION; HYDROGEN BONDING INTERACTIONS; HYDROGEN-BONDED DIMERS; INTERACTION ENERGIES; NATURAL BOND ORBITAL ANALYSIS; OPTIMIZED GEOMETRIES; QUANTUM CHEMICAL STUDIES; QUANTUM THEORY OF ATOMS IN MOLECULES; ROTATIONAL CONSTANTS; VERTICAL IONIZATION ENERGY;

EID: 77951571339     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22284     Document Type: Article
Times cited : (12)

References (42)
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    • Granovsky, A. A. PC GAMESS version 7.1. Available at: http://classic.chem.msu.su/gran/gamess/index.html.
    • PC GAMESS
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  • 32
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    • and references therein
    • (a) Hobza, P.; Havlas, Z. Chem Rev 2000, 100, 4253; and references therein
    • (2000) Chem Rev , vol.100 , pp. 4253
    • Hobza, P.1    Havlas, Z.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.