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Volumn 566, Issue , 2013, Pages 1-3

On the calculation of the vibrational frequencies of C6H 4

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; DFT LEVELS; ISOTOPOLOGUES; TRIPLE BONDS;

EID: 84875744857     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.02.048     Document Type: Article
Times cited : (7)

References (21)
  • 1
    • 0003929555 scopus 로고    scopus 로고
    • NIST Standard Reference Database Number 69, in: P.J. Linstrom, W.G. Mallard (Eds.), National Institute of Standards and Technology, Gaithersburg, MD 20899 (retrieved 23.08.12)
    • T. Shimanouchi, Molecular Vibrational Frequencies in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, in: P.J. Linstrom, W.G. Mallard (Eds.), National Institute of Standards and Technology, Gaithersburg, MD 20899. Available at: < http://webbook.nist.gov > (retrieved 23.08.12).
    • Molecular Vibrational Frequencies in NIST Chemistry WebBook
    • Shimanouchi, T.1
  • 17
    • 0038626673 scopus 로고    scopus 로고
    • Revision D.02, Gaussian, Inc., Pittsburgh, PA
    • M.J. Frisch et al., Gaussian 03, Revision D.02, Gaussian, Inc., Pittsburgh, PA, 2003.
    • (2003) Gaussian 03
    • Frisch, M.J.1
  • 18
    • 77249090978 scopus 로고    scopus 로고
    • Cfour A Quantum-Chemical Program Package by J.F. Stanton, J. Gauss, M.E. Harding, P.G. Szalay with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, L. Cheng, O. Christiansen, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W.J. Lauderdale, D.A. Matthews, T. Metzroth, L.A. Mck, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J.D. Watts and the integral packages Molecule (J. Almlöf and P.R. Taylor), Props (P.R. Taylor), Abacus (T. Helgaker, H.J. Aa. Jensen, P. Jrgensen, and J. Olsen), and ECP routines by A.V. Mitin and C. van Wüllen
    • Cfour, Coupled-Cluster techniques for Computational Chemistry, A Quantum-Chemical Program Package by J.F. Stanton, J. Gauss, M.E. Harding, P.G. Szalay with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, L. Cheng, O. Christiansen, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W.J. Lauderdale, D.A. Matthews, T. Metzroth, L.A. Mck, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J.D. Watts and the integral packages Molecule (J. Almlöf and P.R. Taylor), Props (P.R. Taylor), Abacus (T. Helgaker, H.J. Aa. Jensen, P. Jrgensen, and J. Olsen), and ECP routines by A.V. Mitin and C. van Wüllen. For the current version, see http://www.cfour.de.
    • Coupled-Cluster Techniques for Computational Chemistry


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.