Fragment molecular orbital method: An approximate computational method for large molecules

Chemical Physics Letters

Volumn 313, Issue 3-4, 1999, Pages 701-706

  Kitaura, Kazuo ^a   Ikeo, Eiji ^a   Asada, Toshio ^a   Nakano, Tatsuya ^b   Uebayasi, Masami ^c  

^a Osaka P   (Japan)

^b NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^c NATL INST BIOSCI HUM TECHNOL   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000721543     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00874-X     Document Type: Article

References (13)

1. Van Alsenoy C., Yu C.-H., Peeters A., Martin J.M.L., Schaefer L. J. Phys. Chem. A. 102:1998;2246.
2. Imamura A., Aoki Y., Maekawa K. J. Chem. Phys. 95:1991;5419.
3. Stewart J.J.P. Int. J. Quantum Chem. 58:1996;133.
4. Newton M.D., Boer F.P., Lipscomb W.N. J. Am. Chem. Soc. 88:1966;2353.
5. Niessen W.V. Theor. Chim. Acta. 31:1973;111.
6. Degand P., Leroy G., Peeters D. Theor. Chim. Acta. 30:1973;243.
7. Kitaura K., Sawai T., Asada T., Nakano T., Uebayasi M. Chem. Phys. Lett. 312:1999;319.
8. Foster J.M., Boys S.F. Rev. Mod. Phys. 32:1960;300.
9. Edmiston C., Ruedenberg K. Rev. Mod. Phys. 34:1963;457.
10. Reed A.E., Weinstock R.B., Weinhold F. J. Chem. Phys. 83:1985;735.
11. Kitaura K., Morokuma K. Int. J. Quantum Chem. 10:1976;325.
12. 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, J.A. Pople, Gaussian 94, Revision D.4, Gaussian, Inc., Pittsburgh, PA, 1995.
13. White C.A., Johnson B.G., Gill P.M.W., Head-Gordon M. Chem. Phys. Lett. 230:1994;8.