Investigation of some properties of multicenter bond indices

Journal of Physical Chemistry A

Volumn 101, Issue 9, 1997, Pages 1738-1741

  Ponec, Robert ^a   Mayer, István ^b  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^b CTRL RES INSTITUTE FOR CHEMISTRY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; MOLECULAR STRUCTURE;

AB INITIO CALCULATIONS; MOLECULAR ORBITALS; MULTICENTER BONDS; QUANTUM CHEMISTRY;

QUANTUM THEORY;

EID: 0031070020     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962510e     Document Type: Article

References (37)

1. Pitzer, K. S. J. Am. Chem. Soc. 1949, 67, 1126.
2. Longuett-Higgins, H. C. J. Chim. Phys. 1949, 46, 275.
3. Dickenson, R. E.; Lipscomb, W. N. J. Chem. Phys. 1957, 27, 212.
4. Cioslowski, J.; McKee, M. L. J. Phys. Chem. 1992, 96, 9264.
5. Sironi, M.; Raimondi, M.; Cooper, D. L.; Getratt, J. J. Chem. Phys. 1991, 95, 10617.
6. de Kock, R., Bosma, W. B. J. Chem. Educ. 1988, 65, 194.
7. Wade, K. Electron Deficient Molecules; Studies in Modern Chemistry; T. Nelson and Sons Ltd.: 1971.
8. Lipscomb, W. N. Boron Hydride Chemistry; Muetterties, E. L., Ed.; Academic Press: New York, 1975.
9. Kar, T.; Jug, K. Int. J. Quantum Chem. 1995, 53, 407.
10. Reed, L. H.; Allen, L. Int. J. Quantum Chem. Symp. 1991, 25, 489.
11. Lipscomb, W. N. Acc. Chem. Res. 1973, 8, 257.
12. Giambiagi, M.; Giambiagi, M. S.; Mundim, K. C. Struct. Chem. 1990, 1, 123.
13. Mundim, K. C.; Giambiagi, M.; Giambiagi, M. S. J. Phys. Chem. 1994, 98, 6118.
14. Kar, T.; Sannigrahi, A. B. Chem. Phys. Lett. 1990, 173, 569.
15. Ponec, R.; Bochicchio, R. Int. J. Quantum Chem. 1995, 54, 99.
16. Ponec, R.; Uhlik, F. Croat. Chem. Acta 1996, 69, 941.
17. Marcos, E. S.; Karafiloglou, P.; Sanz, J. F. J. Phys. Chem. 1990, 94, 2763.
18. Parrondo, R. M.; Karafiloglou, P.; Pappalardo, R. R.; Marcos, E. S. J. Phys. Chem. 1995, 99, 6461.
19. Maynau, D.; Said, M.; Malrieu, J. P. J. Am. Chem. Soc. 1983, 105, 5244.
20. Parrondo, R. M.; Karafiloglou, P.; Marcos, E. S. Int. J. Quantum Chem. 1994, 52, 1127.
21. Ponec, R.; Jug, K. Int. J. Quantum Chem. 1996, 60, 75.
22. Ponec, R.; Strnad, M. Int. J. Quantum Chem. 1994, 50, 43.
23. Karafiloglou, P. Chem. Phys. 1990, 140, 373.
24. Bochicchio, R. J. Mol. Struct. (THEOCHEM) 1991, 228, 209.
25. Mulliken, R. S. J. Chem. Phys. 1955, 23, 1833.
26. Wiberg, K. Tetrahedron 1968, 24, 1083.
27. Ponec, R. Croat. Chem. Acta 1994, 67, 55.
28. Cooper, D. L.; Ponec, R.; Thorsteinsson, T.; Raos, G. Int. J. Quantum Chem. 1996, 57, 501.
29. Johnson, H. S. Adv. Chem. Phys. 1960, 3, 131.
30. Parr, C.; Johnson, H. S. J. Am. Chem. Soc. 1963, 85, 2544.
31. Johnson, H. S. Gas Phase Reaction Rate Theory; Ronald Press: New York, 1966.
32. Mayer, I. J. Mol. Struct (THEOCHEM) 1989, 186, 43.
33. Kar, T.; Marcos, E. S. Chem. Phys. Lett. 1992, 192, 14.
34. Giambiagi, M. S.; Giambiagi, M.; Herrera, J. Z. Natuforsch. 1994, 49a, 754.
35. Stewart, J. J. P. MOPAC, QCPE 455; Indiana University: Bloomington, IN, 1993.
36. 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.; Reploge, E. S.; Gomperts, R.; Anders, J. L.; Ragvachari, K.; Binkley, J. S.; Gonzales, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN-92, Revision C; Gaussian Inc.: Pittsburgh, 1992.
37. Ponec, R.; Uhlik, F.; Cooper, D. L. Croat. Chem. Acta 1995, 68, 149.