Interaction energy anisotropy of the pyrrole dimer: Ab initio theoretical study

Theoretical Chemistry Accounts

Volumn 101, Issue 5, 1999, Pages 319-324

  Lukeš, Vladimír ^a   Breza, Martin ^a   Biskupič, Stanislav ^a  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

Perturbation theory; Pyrrole dimer; Weak molecular interactions

Indexed keywords

EID: 0033445504     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050447     Document Type: Article

References (35)

1. Hobza P, Zahradník R (1988) Intermolecular complexes. Academic Press, Prague
2. Hobza P, Zahradník R (1988) Chem Rev 88:871
3. Bömsen KO, Selzle HL, Schlag EW (1986) J Chem Phys 85:1726
4. Henson BF, Hartland GV, Venture VA, Felker PM (1992) J Chem Phys 97:2189
5. Scherzer W, Krätzschmar O, Selzle HL, Schlag EW (1992) Z Naturforsch A47:1248
6. Hobza P, Selzle HL, Schlag EW (1990) J Chem Phys 93:5893
7. Hobza P, Selzle HL, Schlag EW (1993) J Phys Chem 97:3937
8. Hobza P, Selzle HL, Schlag EW (1994) J Am Chem Soc 116:3500
9. Hobza P, Selzle HL, Schlag EW (1994) Chem Rev 94:1767
10. Smith GD, Jaffe RL (1996) J Phys Chem 100:9624
11. Brupbacher T, Bauder A (1993) J Chem Phys 99:9394
12. Ohshima Y, Kohguchi H, Endo Y (1991) Chem Phys Lett 184:21
13. Columberg G, Bauder A (1997) J Chem Phys 106:504
14. Perkampus H, Krüger U, Krüger W (1969) Z Naturforsch B 24:1365
15. Kolos W (1983) In: Löwdin PO, Pulman B (eds) New horizons of quantum chemistry. Reidel, Dortrecht, pp 243-277
16. Chalasiński G, Szcześniak MM (1994) Chem Rev 94:1723
17. Jeziorski B, Kolos W (1982) In: Ratajczak H, Orvile-Thomas WJ (eds) Molecular interactions, vol 3. Wiley, New York, pp 1-46
18. Rybak S, Jeziorski B, Szalewicz K (1991) J Chem Phys 95:6576
19. Moszyński R, Jeziorski B, Szalewicz K (1994) J Chem Phys 100:1312
20. Jeziorski B, Moszyński R, Ratkiewicz A, Rybak S, Szalewicz K, Wiliams HL (1993) In: Clementi E (ed) Methods and techniques in computational chemistry, vol B. METECC-94 STEF, Cagliari, pp 79-126
21. Kvasnička V, Laurinc V, Hubač I (1974) Mol Phys 42:1345
22. Daudey JP, Claverie P, Malerieu JP (1974) Int J Quantum Chem 8:1
23. Surján PR, del valle CP (1996) Theor Chim Acta 94:333
24. Laurinc V. Lukeš V, Biskupič S (1998) Theor Chem Acc 99:53
25. Jeziorski B, Bulski M, Piela L (1976) Int J Quantum Chem 10:281
26. Moszynski R, Heijmen TGA, Jeziorski B (1996) Mol Phys 88:741
27. Lukeš V, Laurinc V, Biskupič S (1999) Int J Quantum Chem (in press)
28. Anderson K, Blomberg MRA, Fülscher MP, Karlström G, Kellö V, Lindh R, Malmqvist P-A, Noga J, Olsen J, Roos BO, Sadlej AJ, Siegbahn PEM, Urban M, Widmark P-O (1994) MOLCAS-3. University of Lund, Sweden
29. Frisch MJ, Trucks GW, Head-Gordon M, Gill PMW, Wong MW, Foresman JB, Johnson BG, Schlegel HB, Robb MA, Replogle ES, Gomperts R, Andres JL, Raghavachari K, Binkley JS, Gonzales C, Martin RL, Fox DJ, Defrees DJ, Baker J, Stewart JJP, Pople JA (1992) GAUSSIAN 92. Gaussian, Pittsburgh, Pa
30. Boys SF, Bernardi F (1970) Mol Phys 19:553
31. Nygaard L, Tielsen JT, Kirchheiner J, Maltesen G, Rastrup-Andersen J, Sørensen GO (1969) J Mol Struct 3:491
32. Huzinaga S (1984) In: Andzelm J, Klobukowski E, Radzio-Andzelm E, Sakai Y, Tatewaki H (eds) Gaussian basis sets for molecular calculations. Elsevier, Amsterdam, pp 4-86
33. Dupuis M, Watts JD, Villar HO, Hunt GJB (1988) Program HONDO/7. QCPE 544
34. Christen D. Griffiths JH, Scheriden J (1982) Z Naturforsch A 37:1378
35. Le Févre CG, Le Févre RJW, Rao BP, Smith MR (1959) J Chem Soc 1188