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Volumn 47, Issue 16, 2008, Pages 7317-7326

Oxoperoxo vanadium(V) complexes of L-lactic acid: Density functional theory study of structure and NMR chemical shifts

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACID; LACTIC ACID; ORGANOMETALLIC COMPOUND; VANADIUM;

EID: 50449093882     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic800405x     Document Type: Article
Times cited : (24)

References (62)
  • 12
    • 9444263106 scopus 로고    scopus 로고
    • Hirao, T. Chem. Rev. 1997, 97, 2707-2724.
    • (1997) Chem. Rev , vol.97 , pp. 2707-2724
    • Hirao, T.1
  • 20
    • 4243553426 scopus 로고
    • Becke, A. D. Phys. Rev. 1988, A38, 3098-3100.
    • (1988) Phys. Rev , vol.A38 , pp. 3098-3100
    • Becke, A.D.1
  • 21
    • 50449100714 scopus 로고    scopus 로고
    • In GAMESS only the exchange PBE functional is implemented, which is why this was used in combination with the correlation functional LYP
    • In GAMESS only the exchange PBE functional is implemented, which is why this was used in combination with the correlation functional LYP.
  • 22
    • 4243943295 scopus 로고    scopus 로고
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868; Erratum: 1997, 78, 1396-1396.
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868; Erratum: 1997, 78, 1396-1396.
  • 41
    • 50449108797 scopus 로고    scopus 로고
    • Malkin, V. G.; Malkina, O. L.; Eriksson, L. A.; Salahub, D. R. Modern Density Functional Theory: A Tool for Chemistry. In Theoretical and Computational Chemistry; Seminario, J. M., Politzer P., Eds.; Elsevier: Amsterdam, 1995; 2.
    • Malkin, V. G.; Malkina, O. L.; Eriksson, L. A.; Salahub, D. R. Modern Density Functional Theory: A Tool for Chemistry. In Theoretical and Computational Chemistry; Seminario, J. M., Politzer P., Eds.; Elsevier: Amsterdam, 1995; Vol. 2.
  • 43
    • 0003754095 scopus 로고
    • Ziesche, P, Eischrig, H, Eds, Akademie Verlag: Berlin
    • Perdew, J. P. In Electronic Structure of Solids; Ziesche, P., Eischrig, H., Eds.; Akademie Verlag: Berlin, 1991.
    • (1991) Electronic Structure of Solids
    • Perdew, J.P.1
  • 50
    • 0035886799 scopus 로고    scopus 로고
    • and references therein
    • Bühl, M.; Parrinello, M. Chem.-Eur. J. 2001, 7, 4487-4494; and references therein.
    • (2001) Chem.-Eur. J , vol.7 , pp. 4487-4494
    • Bühl, M.1    Parrinello, M.2
  • 54
    • 50449105492 scopus 로고    scopus 로고
    • Ph.D. Thesis, Faculty of Sciences and Technology, University of Coimbra, Portugal
    • Justino, L. L. G. Ph.D. Thesis, Faculty of Sciences and Technology, University of Coimbra, Portugal, 2007.
    • (2007)
    • Justino, L.L.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.