Gaussian 92, Revision C: M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1992.
Gaussian 94, Revision B.1: M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
MOLPRO 92.3: H.-J. Werner and P. J. Knowles, with contributions from J. Almlof, R. Amos, S. Elbert, M. Deegan, C. Hampel, W. Meyer, K. A. Peterson, E.-A Reinsch, R. Pitzer and A. Stone; programs include MULTI [H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985)] and internally contracted MRCI [H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988)].
DISCO: J. Almlof, K. Fraegri, M. Feyereisen and K. Korsell, DISCO, a direct SCF and MP2 program (1992), J. Comp. Chem. 3, 385 (1982) and M. Feyereisen, Ph.D. Dissertation, University of Minnesota (1989).
GAMESS-US: The original program was assembled by the staff of the National Resource for Computations in Chemistry, including M. Dupuis, D. Spangler, and J. J. Wendoloski, NRCC Software Catalog, University of California, Berkeley, CA (1980), Program QG01. This version of GAMESS is due to M.W.Schmidt, K.K.Baldridge, J.A.Boatz, J.H. Jensen, S. Koseki, M.S. Gordon, K.A. Nguyen, T.L. Windus and S.T. Elbert, Iowa State University, Ames, Iowa.
HONDO 8.3: Contributors to this version include: M. Dupuis, A. Marquez, S. Chin and E. Hollauer, IBM Corporation, Department MLM/428, Neighborhood Road, Kingston, NY 12401. Contributors to previous versions include: S.A. Maluendes, A. Farazdel, S.P. Karna, P. Mougenot, C. Daniel, R. Lindh, K. Dyall, B. Liu, J.D. Watts, H.O. Villar, G.J.B. Hurst, M. Schmidt, M.S. Gordon, S. Elbert, W. Stevens, H. Basch, T.Takada, D.Spangler, J.J.Wendoloski, B. Brooks, W. Laidig, P. Saxe, M. Dupuis, J. Rys and H.F. King.
GAMESS-UK: M.F. Guest, R.J. Harrison, J.H. van Lenthe, L.C.H. van Corler, Theor. Chim. Acta, 71, 117 (1987).
ACES II is a new program package from the Quantum Theory Project of the University of Florida written by J.F. Stanton, J. Gauss, J.D. Watts, W.J. Launderdale and R.J. Bartlett. see: J.F. Stanton, J. Gauss, J.D. Watts, W.J. Launderdale and R.J. Bartlett, J. Chem. Phys. 94, 4334 (1991). The package includes the VMOL integral program written by P.R. Taylor and J. Almlof.
SPARTAN, W. J. Hehre and coworkers, WAVEFUNCTION, Inc.
SUPERMOLECULE: J. Almlof and M. Feyereisen, a direct SCF and MP2 program, University of Minnesota (1994).
PS-GVB 2.3, Murco N. Ringnalda, Jean-Marc Langlois, Robert B. Murphy, Burnham H. Greeley, Christian Cortis, Thomas V. Russo, Bryan Marten, Robert E. Donnlley, Jr., W. Thomas Pollard, Yixiang Cao, Richard P. Muller, Daniel T. Mainz, Julie R. Wright, Gregory H. Miller, William A. Goddard III and Richard A. Friesner, Schrödinger, Inc., 1996.