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Volumn 3, Issue 1, 2007, Pages 86-94

Density-functional and coupled-cluster singles-and-doubles calculations of the nuclear shielding and indirect nuclear spin-spin coupling constants of o-benzyne

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EID: 35048831781     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct600234n     Document Type: Article
Times cited : (43)

References (38)
  • 4
    • 84990669584 scopus 로고    scopus 로고
    • Aces II Mainz-Austin-Budapest-Version 2005, a quantum chemical program package, written by J. F. Stanton, J. Gauss, J. D. Watts, P. G. Szalay, and R. J. Bartlett with contributions from A. A. Auer, D. B. Bernholdt, O. Christiansen, M. E. Hording, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Juselius, W. J. Lauderdale, T. Metzroth, K. Ruud and the integral packages MOLECULE (J. Almlöf and P. R. Taylor), Props (P. R. Taylor), and ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen). See also Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. Int. J. Quantum Chem. Symp. 1992, 26, 879, as well as http://www.aces2.de (accessed Nov 2006) for the current version.
    • Aces II Mainz-Austin-Budapest-Version 2005, a quantum chemical program package, written by J. F. Stanton, J. Gauss, J. D. Watts, P. G. Szalay, and R. J. Bartlett with contributions from A. A. Auer, D. B. Bernholdt, O. Christiansen, M. E. Hording, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Juselius, W. J. Lauderdale, T. Metzroth, K. Ruud and the integral packages MOLECULE (J. Almlöf and P. R. Taylor), Props (P. R. Taylor), and ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen). See also Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. Int. J. Quantum Chem. Symp. 1992, 26, 879, as well as http://www.aces2.de (accessed Nov 2006) for the current version.
  • 5
    • 35048890547 scopus 로고    scopus 로고
    • Dalton, a molecular electronic structure program, release 2.0 2005, see, accessed Nov 2006
    • Dalton, a molecular electronic structure program, release 2.0 (2005), see http://www.kjemi.uio.no/software/dalton/dalton.html (accessed Nov 2006).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.