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Volumn 106, Issue 14, 1997, Pages 6051-6060

Coupled-cluster calculations of the excitation energies of benzene and the azabenzenes

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[No Author keywords available]

Indexed keywords


EID: 0000419214     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473245     Document Type: Article
Times cited : (123)

References (56)
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    • ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balkova, D. E. Bernholdt, K.-K. Baeck, P. Rozyczko, H. Sekino, C. Huber, and R. J. Bartlett. Integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. R. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor)
    • ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balkova, D. E. Bernholdt, K.-K. Baeck, P. Rozyczko, H. Sekino, C. Huber, and R. J. Bartlett. Integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. R. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor).
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    • R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys. 54, 724 (1971); W. J. Hehre, R. Ditchfield, and J. A. Pople, ibid. 56, 2257 (1972); P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
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    • R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys. 54, 724 (1971); W. J. Hehre, R. Ditchfield, and J. A. Pople, ibid. 56, 2257 (1972); P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
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    • R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys. 54, 724 (1971); W. J. Hehre, R. Ditchfield, and J. A. Pople, ibid. 56, 2257 (1972); P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
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    • Stanton, J.F.1    Gauss, J.2


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