A hybrid QM-MM potential employing hartree-fock or density functional methods in the quantum region

Journal of Physical Chemistry A

Volumn 103, Issue 18, 1999, Pages 3462-3471

  Lyne, Paul D ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000218385     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp982115j     Document Type: Article

References (2)

1. Szabo, A.; Ostlund, N. S. Modem Quantum Chemistry; McGraw-Hill: New York, 1989.
2. Hehre, W. J.; Radom, L.; v. R. Schleyer, P.; Pople, J. A. Ab Initia Molecular Orbital Theory; Wiley: New York, 1986.