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Volumn 8, Issue 6, 2012, Pages 2165-2179

Geometries and vibrational frequencies of small radicals: Performance of coupled cluster and more approximate methods

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EID: 84862210629     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300194x     Document Type: Article
Times cited : (47)

References (99)
  • 44
    • 84862190884 scopus 로고    scopus 로고
    • CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package by; with contributions from Auer, A. A. Bartlett, R. J. Benedikt, U. Berger, C. Bernholdt, D. E. Bomble, Y. J. Cheng, L. Christiansen, O. Heckert, M. Heun, O. Huber, C. Jagau, T.-C. Jonsson, D. Jusélius, J. Klein, K. Lauderdale, W. J. Matthews, D. A. Metzroth, T. ONeill, D. P. Price, D. R. Prochnow, E. Ruud, K. Schiffmann, F. Schwalbach, W. Stopkowicz, S. Tajti, A. Vázquez, J. Wang, F. Watts, J. D. and the integral packages MOLECULE (Almlöf, J. Taylor, P. R.), PROPS (Taylor, P. R.), ABACUS (Helgaker, T. Jensen, H. J. Aa. Jørgensen, P. Olsen, J.), and ECP routines by Mitin, A. V. van Wüllen, C. For the current version, see (release date June 2010)
    • CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package by Stanton, J. F.; Gauss, J.; Harding, M. E.; Szalay, P. G. with contributions from Auer, A. A.; Bartlett, R. J.; Benedikt, U.; Berger, C.; Bernholdt, D. E.; Bomble, Y. J.; Cheng, L.; Christiansen, O.; Heckert, M.; Heun, O.; Huber, C.; Jagau, T.-C.; Jonsson, D.; Jusélius, J.; Klein, K.; Lauderdale, W. J.; Matthews, D. A.; Metzroth, T.; ONeill, D. P.; Price, D. R.; Prochnow, E.; Ruud, K.; Schiffmann, F.; Schwalbach, W.; Stopkowicz, S.; Tajti, A.; Vázquez, J.; Wang, F.; Watts, J. D. and the integral packages MOLECULE (Almlöf, J.; Taylor, P. R.), PROPS (Taylor, P. R.), ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jørgensen, P.;; Olsen, J.), and ECP routines by Mitin, A. V.;; van Wüllen, C. For the current version, see http://www.cfour.de (release date June 2010).
    • Stanton, J.F.1    Gauss, J.2    Harding, M.E.3    Szalay, P.G.4
  • 47
    • 0035880942 scopus 로고    scopus 로고
    • MRCC, a string-based quantum chemical program suite
    • See also Kállay, M. Surján, P. R. and (accessed October 2010)
    • Kállay, M. MRCC, a string-based quantum chemical program suite. See also Kállay, M.; Surján, P. R. J. Chem. Phys. 2001, 115, 2945, and http://tc03.fkt.bme.hu/index.php?n=Main.Author (accessed October 2010).
    • (2001) J. Chem. Phys , vol.115 , pp. 2945
    • Kállay, M.1
  • 51
    • 70450206724 scopus 로고    scopus 로고
    • revision A.02; Gaussian Inc. Wallingford, CT
    • Frisch, M. J. Gaussian 09, revision A.02; Gaussian Inc.: Wallingford, CT, 2009.
    • (2009) Gaussian 09
    • Frisch, M.J.1
  • 61
    • 84862166234 scopus 로고    scopus 로고
    • NIST Computational Chemistry Comparison and Benchmark Database, Release 15a. (Accessed April 2010)
    • NIST Computational Chemistry Comparison and Benchmark Database, Release 15a. http://cccbdb.nist.gov (Accessed April 2010).
  • 68
    • 84862177346 scopus 로고    scopus 로고
    • The 2010 CODATA Recommended Values of the Fundamental Physical Constants (Web Version 6.0). National Institute of Standards and Technology: Gaithersburg, MD, 2011. (accessed January 2012).
    • Mohr, P.; Taylor, B.; Newell, D. The 2010 CODATA Recommended Values of the Fundamental Physical Constants (Web Version 6.0). National Institute of Standards and Technology: Gaithersburg, MD, 2011. http://physics.nist.gov/ constants (accessed January 2012).
    • Mohr, P.1    Taylor, B.2    Newell, D.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.