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Volumn 111, Issue 25, 2007, Pages 5563-5571

Vibrational corrections to magneto-optical rotation: A computational study

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; HYBRID FUNCTIONALS; VERDET CONSTANTS; VIBRATIONAL CORRECTIONS;

EID: 34547371076     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp070448n     Document Type: Article
Times cited : (14)

References (81)
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    • Sauer, S. P. A.; Packer, M. J. The ab initio calculation of molecular properties other than the potential energy surface. In Computational Molecular Spectroscopy; Bunker, P. R., Jensen, P., Eds.; John Wiley & Sons: London, 2000.
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    • Sauer, S.P.A.1    Packer, M.J.2
  • 16
    • 9644294595 scopus 로고    scopus 로고
    • Ro-vibrational corrections to NMR parameters
    • Kaupp, M, Bühl, M, Malkin, V. G, Eds, Wiley-VCH: Weinheim
    • Ruden, T. A.; Ruud, K. Ro-vibrational corrections to NMR parameters. In Calculation of NMR and EPR Parameters. Theory and Applications; Kaupp, M., Bühl, M., Malkin, V. G., Eds.; Wiley-VCH: Weinheim, 2004.
    • (2004) Calculation of NMR and EPR Parameters. Theory and Applications
    • Ruden, T.A.1    Ruud, K.2
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    • 85102989523 scopus 로고    scopus 로고
    • Helgaker, T, Jørgensen, P, Olsen, J, Eds, Wiley: New York
    • Helgaker, T., Jørgensen, P., Olsen, J., Eds. Molecular Electronic-Structure Theory; Wiley: New York, 2000.
    • (2000) Molecular Electronic-Structure Theory
  • 57
    • 84858093599 scopus 로고    scopus 로고
    • Dalton, a molecular electronic structure program, Release 2.0. see, 2005
    • Dalton, a molecular electronic structure program, Release 2.0. see http://www.kjemi.uio.no/software/dalton/dalton.html (2005).
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    • Barone, V. J. Chem. Phys. 2005, 122, 014108-014110.
    • (2005) J. Chem. Phys , vol.122 , pp. 014108-014110
    • Barone, V.1
  • 76
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    • Ahlrichs, R, et al. Turbomole, Version 5.7; Quantum Chemistry Group, Universitaet Karlsruhe: Karlsruhe, Germany, 2004
    • Ahlrichs, R.; et al. Turbomole, Version 5.7; Quantum Chemistry Group, Universitaet Karlsruhe: Karlsruhe, Germany, 2004.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.