Comparison of basis set superposition error corrected perturbation theories for calculating intermodular interaction energies

Journal of Computational Chemistry

Volumn 20, Issue 2, 1999, Pages 274-283

  Halasz G J ^a   Vibok A ^a   Mayer, I ^b  

^a UNIVERSITY OF DEBRECEN   (Hungary)

^b CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

Basis set superposition error; Chemical Hamiltonian approach; Intermolecular interaction energies; Perturbation theories

Indexed keywords

EID: 0000967989     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1096-987x(19990130)20:2<274::aid-jcc9>3.0.co;2-z     Document Type: Review

References (32)

1. (a) Jansen, H. B.; Ross, P. Chem Phys Lett 1969, 3, 140;
2. (b) Boys, S. B.; Bemardi, F. Mol Phys 1970, 19, 553.
3. Valiron, P.; Vibók, Á.; Mayer, I. J Comput Chem 1993, 14, 401.
4. Mayer, I. Int J Quantum Chem, to appear.
5. Mayer, I.; Surján, P. R. Chem Phys Lett 1992, 191, 497.
6. Fowler, P. W.; Buckingham, A. D. Mol Phys 1983, 50, 1349.
7. Szczesniak, M. M.; Scheiner, S. Chem Phys Lett 1986, 131, 230.
8. (a) Mayer, I. Int J Quantum Chem 1983; 23, 341.
9. (b) Mayer, I. In Modelling of Structure and Properties of Molecules; Maksić, Z. B., Ed.; Ellis Horwood: Chichester, UK, 1987; p 145.
10. (a) Mayer, I.; Vibók, Á. Chem Phys Lett 1987, 136, 115.
11. (b) Mayer, I.; Vibók, Á. Chem Phys Lett 1987, 140, 558.
12. (c) Vibók, Á.; Mayer, I. J Mol Struct (Theochem) 1988, 170, 9.
13. Vibók, Á.; Mayer, I. Int J Quantum Chem 1992, 43, 801.
14. Mayer, I.; Surján, P. R., Vibók, Int J Quantum Chem Quantum Chem Symp 1989, 23, 281.
15. Mayer, L; Surján, P. R. Int J Quantum Chem 1989, 36, 225.
16. Mayer, I.; Túri, J Mol Struct (Theochem) 1991, 277, 43.
17. Tao, F-M. J Chem Phys 1993, 10, 3645.
18. Novoa, J. J.; Planas, M.; Whangbo, M.-H. Chem Phys Lett 1994, 225, 240.
19. Davidson, E. R.; Chakravarty, S. J. Chem Phys Lett 1994, 217, 48.
20. Noga, J.; Vibók, Á. Chem Phys Lett 1991, 180, 114.
21. Mayer, L; Vibók, Á.; Valiron, P. Chem Phys Lett 1994, 224, 166.
22. Mayer, I.; Vibók, Á. Mol Phys 1997, 92, 503.
23. Mayer, I.; Valiron, P. J Chem Phys to appear.
24. Kieninger, M.; Suhai, S.; Mayer, I. Chem Phys Lett 1994; 230, 485.
25. Paizs, B.; Suhai, S, J Comput Chem 1997, 18, 694.
26. Paizs, B.; Suhai, S. J Comput Chem 1998, 19, 575.
27. Vibók, Á.; Halász, G.; Mayer, I. Mol Phys 1998, 93, 873.
28. Mayer, I. Mol Phys 1996, 89, 515.
29. Vibók, Á.; Mayer, I. Acta Phys Hung 1990, 68, 241.
30. HONDO-8 from MOTECC-91, contributed and documented by M. Dupuis and A. Farazdel; IBM Corporation Center for Scientific & Engineering Computations: Kingston, NY, 1991.
31. Kollman, P.; McKelvey, J.; Johansson, A.; Rothenberg, S. J Am Chem Soc 1975, 97, 995.
32. Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J. Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 92, Gaussian, Inc.: Pittsburgh, PA, 1992.