Electron reorganization in chemical reactions. Bond order conservation vs multicenter bonding in the course of chemical reactions

Collection of Czechoslovak Chemical Communications

Volumn 62, Issue 12, 1997, Pages 1821-1831

  Ponec, Robert ^a  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

Author keywords

Bond energy bond order; Bond order conservation; Bond theory; Multicenter bonding; Pair population analysis; Transition states

Indexed keywords

EID: 0031320014     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc19971821     Document Type: Article

References (34)

1. Eyring H.: J. Chem. Phys. 3, 107 (1935).
2. Woodward R. B., Hoffmann R.: Angew. Chem., Int. Ed. Engl. 81, 761 (1969).
3. Bader R. F. W.: Atoms in Molecules. A Quantum Theory. Clarendon Press, Oxford 1994.
4. Kolbe H.: Liebigs Ann. Chem. 75, 211 (1850).
5. Rice F. O., Teller E.: J. Chem. Phys. 6, 489 (1938).
6. Evans M. G., Polanyi M.: Trans. Faraday Soc. 32, 1340 (1936).
7. Hammond G.: J. Am. Chem. Soc. 77, 534 (1955).
8. Johnson H. S.: Gas Phase Reaction Rate Theory. Ronald Press, New York 1966.
9. Polanyi J. C. in: The Chemical Bond. Structure and Dynamics (A. Zewail, Ed.) Chapter 7. Academic Press, San Diego 1992.
10. Coulson C. A.: Proc. R. Soc. London, Ser. A 169, 419 (1939).
11. Wiberg K.: Tetrahedron 24, 1083 (1968).
12. Mayer I.: Int. J. Quantum Chem. 29, 477 (1986).
13. Angyan J., Loos M., Mayer I.: J. Phys. Chem. 98, 5244 (1994).
14. Sannigrahi A. B.: Adv. Quantum Chem. 23, 301 (1992).
15. Jug K.: Croat. Chem. Acta 57, 941 (1984).
16. Muszkat K. A., Shafari-Ozeri S.: Chem. Phys. Lett. 20, 397 (1973).
17. Lendvay G.: J. Phys. Chem. 93, 4422 (1989).
18. Lendvay G.: J. Phys. Chem. 98, 6098 (1994).
19. Majumdar D., Bhattacharyya P. S., Maity D. K.: Int. J. Quantum Chem. 43, 567 (1992).
20. Maity D. K., Majumdar D., Bhattacharyya P. S.: J. Mol. Struct., THEOCHEM 276, 315 (1992).
21. Ponec R., Strnad M.: Int. J. Quantum Chem. 50, 43 (1994).
22. Ponec R.: Collect. Czech. Chem. Commun. 50, 505 (1994).
23. Ponec R.: Croat. Chem. Acta 67, 55 (1994).
24. Cooper D. L., Ponec R., Thorsteinsson T., Raos G.: Int. J. Quantum Chem. 57, 501 (1996).
25. Lowdin P. O.: Phys. Rev. 97, 1474 (1955).
26. Mulliken R. S.: J. Chem. Phys. 23, 1833 (1955).
27. Ponec R., Uhlik F.: J. Mol. Struct., THEOCHEM 391, 159 (1977).
28. Dewar M. J. S., Zoebish E. G., Healy E. F., Stewart J. P.: J. Am. Chem. Soc. 107, 3902 (1985).
29. Stewart J. P.: MOPAC, QCPE 455. Indiana University, Bloomington, IN 1993.
30. Spellmayer D. C., Houk K. N.: J. Am. Chem. Soc. 110, 3412 (1988).
31. Ponec R., Bochicchio R.: Int. J. Quantum Chem. 54, 99 (1995).
32. Ponec R., Jug K.: Int. J. Quantum Chem. 60, 75 (1996).
33. Ponec R., Strnad M.: Int. J. Quantum Chem. 42, 501 (1992).
34. Strnad M., Ponec R.: Int. J. Quantum Chem. 49, 35 (1994).