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Volumn 49, Issue 19, 2010, Pages 8897-8903

Comparison of 2,2′-bipyridine and 2,2′-bipyridyl-N,N′- dioxide as ligands in zinc complexes

Author keywords

[No Author keywords available]

Indexed keywords

2,2' BIPYRIDINE; DRUG DERIVATIVE; LIGAND; ORGANOMETALLIC COMPOUND; ZINC;

EID: 77957275887     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic101061p     Document Type: Article
Times cited : (9)

References (52)
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    • revision C.02; Gaussian, Inc.: Wallingford, CT.
    • Frisch, M. J. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian 03
    • Frisch, M.J.1
  • 32
    • 0035959631 scopus 로고    scopus 로고
    • A scaling factor of 0.983 has been reported for the prediction of the IR spectrum of phenol calculated at the B3LYP/6-311++G(df,pd) level of theory.
    • A scaling factor of 0.983 has been reported for the prediction of the IR spectrum of phenol calculated at the B3LYP/6-311++G(df,pd) level of theory. Michalska, D., Zierkiewicz, W., Bienko, D. C., Wojciechowski, T., and Zeegers-Huyskens, W. J. Phys. Chem. A 2001, 105, 8734
    • (2001) J. Phys. Chem. A , vol.105 , pp. 8734
    • Michalska, D.1    Zierkiewicz, W.2    Bienko, D.C.3    Wojciechowski, T.4    Zeegers-Huyskens, W.5
  • 33
    • 36649020243 scopus 로고    scopus 로고
    • For the method B3LYP/6-311+G(d,p), a scaling factor of 0.9688 is suggested in the work following:,. This scaling, however, does not lead to an agreement with the experimental spectra
    • For the method B3LYP/6-311+G(d,p), a scaling factor of 0.9688 is suggested in the work following: Merrick, J. P., Moran, D., and Radom, L. J. Phys. Chem. A 2007, 111, 11683. This scaling, however, does not lead to an agreement with the experimental spectra
    • (2007) J. Phys. Chem. A , vol.111 , pp. 11683
    • Merrick, J.P.1    Moran, D.2    Radom, L.3
  • 39
    • 77957281283 scopus 로고    scopus 로고
    • note
    • -1.
  • 42
    • 77957287533 scopus 로고    scopus 로고
    • A tight transition state was assumed.
    • A tight transition state was assumed.
  • 43
    • 77957276660 scopus 로고    scopus 로고
    • A loose transition state was assumed.
    • A loose transition state was assumed.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.