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Volumn 427, Issue 1-3, 2006, Pages 185-191

Multicentered integrated QM:QM methods for weakly bound clusters: An efficient and accurate 2-body:many-body treatment of hydrogen bonding and van der Waals interactions

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; HELIUM; NEON; VAN DER WAALS FORCES;

EID: 33746357628     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.06.021     Document Type: Article
Times cited : (66)

References (31)
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    • (1998) Encyclopedia of Computational Chemistry , pp. 1263
    • Del Bene, J.1
  • 2
    • 0011164114 scopus 로고    scopus 로고
    • Noncovalent interactions: A challenge for experiment and theory
    • Muller-Dethlefs K., and Hobza P. Noncovalent interactions: A challenge for experiment and theory. Chem. Rev. 100 (2000) 143
    • (2000) Chem. Rev. , vol.100 , pp. 143
    • Muller-Dethlefs, K.1    Hobza, P.2
  • 4
    • 0038617502 scopus 로고    scopus 로고
    • Grimme S. J. Chem. Phys. 118 20 (2003) 9095. Available from:
    • (2003) J. Chem. Phys. , vol.118 , Issue.20 , pp. 9095
    • Grimme, S.1
  • 20
    • 0001039562 scopus 로고
    • Yarkony D.R. (Ed), World Scientific, Singapore (Chapter 16)
    • Bartlett R.J. In: Yarkony D.R. (Ed). Modern Electronic Structure Theory. Advanced Series in Physical Chemistry Vol. 2 (1995), World Scientific, Singapore 1047 (Chapter 16)
    • (1995) Advanced Series in Physical Chemistry , vol.2 , pp. 1047
    • Bartlett, R.J.1
  • 21
    • 0002419099 scopus 로고    scopus 로고
    • Lipkowitz K.B., and Boyd D.B. (Eds), VCH Publishers, New York (Chapter 2)
    • Crawford T.D., and Schaefer H.F. In: Lipkowitz K.B., and Boyd D.B. (Eds). Reviews in Computational Chemistry Vol. 14 (2000), VCH Publishers, New York 33 (Chapter 2)
    • (2000) Reviews in Computational Chemistry , vol.14 , pp. 33
    • Crawford, T.D.1    Schaefer, H.F.2
  • 29
    • 33746323870 scopus 로고    scopus 로고
    • T.D. Crawford, C.D. Sherrill, E.F. Valeev, J.T. Fermann, R.A. King, M.L. Leininger, S.T. Brown, C.L. Janssen, E.T. Seidl, J.P. Kenny, W.D. Allen, PSI 3.2, 2003.
  • 30
    • 33746352997 scopus 로고    scopus 로고
    • J.F. Stanton, J. Gauss, J.D. Watts, P.G. Szalay, R.J. Bartlett with contributions from A.A. Auer, D.B. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusélius, W.J. Lauderdale, T. Metzroth, K. Ruud, Mainz-Austin-Budapest version of aces II, The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P.R. Taylor, the ABACUS integral derivative program written by T.U. Helgaker, H.J. Aa. Jensen, P.Jørgensen and P.R. Taylor, and the PROPS property evaluation integral code of P.R. Taylor, 2006.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.