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Volumn , Issue 31, 2007, Pages 4952-4957

Ge6Me12 and Ge6H12 cyclohexagermanes: Conformer equilibria studied by raman spectroscopy and quantum chemical calculations

Author keywords

Ab initio calculations; Conformational analysis; Cyclohexagermanes; Raman spectroscopy; X ray structure

Indexed keywords

BOND LENGTH; CRYSTAL STRUCTURE; GEOMETRY; QUANTUM CHEMISTRY; SPECTRUM ANALYSIS; STEREOCHEMISTRY;

EID: 36049034997     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200700577     Document Type: Article
Times cited : (5)

References (50)
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    • The rate constant k is given by k, χk bTh-1exp-ΔG*/RT, k b, Boltzmann constant, T, temperature, h, Planck constant, ΔG*, barrier height, χ, transmission coefficient, We have assumed χ, 0.5
    • b = Boltzmann constant, T = temperature, h = Planck constant, ΔG* = barrier height, χ = transmission coefficient). We have assumed χ = 0.5.
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    • The 6-31+G* basis sets for the H, C and Ge atoms are used as implemented in Gaussian03.
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    • These augmented-correlation-consistent triple zeta basis sets can easily be obtained from the EMSL Basis Set Library
    • These augmented-correlation-consistent triple zeta basis sets can easily be obtained from the EMSL Basis Set Library, http://www.emsl.pnl.gov/cgi-bin/ ecce/basis_old.pl.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.