Entropy descriptors of the chemical bond in information theory. II. Applications to simple orbital models

Molecular Physics

Volumn 102, Issue 6, 2004, Pages 547-566

  Nalewajski, Roman F ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BENZENE; BONDING; BUTADIENE; CARBON; ELECTRONIC STRUCTURE; ENTROPY; GROUND STATE; INFORMATION THEORY; IONIZATION; MATHEMATICAL MODELS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE;

ATOMIC ORBITALS (AO); ATOMS IN MOLECULES (AIM); ENTROPY DESCRIPTORS; ORBITAL MODELS;

CHEMICAL BONDS;

EID: 3042784840     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001675572     Document Type: Article

References (40)

1. SHANNON, C. F., 1948, Bell System Tech. J., 27, 379, 623.
2. SHANNON, C. F., and WEAVER, W., 1949, A Mathematical Theory of Communication (Urbana: University of Illinois Press).
3. ABRAMSON, N., 1963, Information Theory and Coding (New York: McGraw-Hill).
4. NALEWAJSKI, R. F., 2000, J. phys. Chem. A, 104, 11940.
5. NALEWAJSKI, R. F., and JUG, K., 2002, In Reviews in Modern Quantum Chemistry - A Celebration of the Contributions of Robert G. Parr (Singapore: World Scientific), p. 148.
6. NALEWAJSKI, R. F., 2004, Molec. Phys., this issue.
7. NALEWAJSKI, R. F., KÖSTER, A. N., and JUG, K., 1993, Theoret. Chim. Acta (Berlin), 85, 463.
8. NALEWAJSKI, R. F., and MROZEK, J., 1994, Int. J. quantum Chem., 51, 187.
9. NALEWAJSKI, R. F., FORMOSINHO, S. J., VARANDAS, A. J. C., and MROZEK, J., 1994, Int. J. quantum Chem., 52, 1153.
10. HEITLER, W., and LONDON, F., 1927, Z. Physik, 44, 455.
11. NALEWAJSKI, R. F., and MROZEK, J., 1996, Int. J. quantum Chem., 57, 377; NALEWAJSKI, R. F., MROZEK, J., and MAZUR, G., 1996, Can. J. Chem., 74, 1121.
12. NALEWAJSKI, R. F., and MROZEK, J., 1996, Int. J. quantum Chem., 57, 377; NALEWAJSKI, R. F., MROZEK, J., and MAZUR, G., 1996, Can. J. Chem., 74, 1121.
13. NALEWAJSKI, R. F., 2004, Chem. Phys. Lett., 386, 265.
14. NALEWAJSKI, R. F., MROZEK, J., and MICHALAK, A., 1977, Int. J. quantum Chem., 61, 589; MROZEK, J., NALEWAJSKI, R. F., and MICHALAK, A., 1998, Polish J. Chem., 72, 1779.
15. NALEWAJSKI, R. F., MROZEK, J., and MICHALAK, A., 1977, Int. J. quantum Chem., 61, 589; MROZEK, J., NALEWAJSKI, R. F., and MICHALAK, A., 1998, Polish J. Chem., 72, 1779.
16. WIBERG, K., 1968, Tetrahedron, 24, 1083; see also: JUG, K., and GOPINATHAN, M. S., 1990, In Theoretical Models of Chemical Bonding, Vol. 2, edited by Z. B. Maksić (Berlin: Springer-Verlag,), p. 77; MAYER, I., 1983, Chem. phys. Lett., 97, 270.
17. WIBERG, K., 1968, Tetrahedron, 24, 1083; see also: JUG, K., and GOPINATHAN, M. S., 1990, In Theoretical Models of Chemical Bonding, Vol. 2, edited by Z. B. Maksić (Berlin: Springer-Verlag,), p. 77; MAYER, I., 1983, Chem. phys. Lett., 97, 270.
18. WIBERG, K., 1968, Tetrahedron, 24, 1083; see also: JUG, K., and GOPINATHAN, M. S., 1990, In Theoretical Models of Chemical Bonding, Vol. 2, edited by Z. B. Maksić (Berlin: Springer-Verlag,), p. 77; MAYER, I., 1983, Chem. phys. Lett., 97, 270.
19. KULLBACK, S., and LEIBLER, R. A., 1951, Ann. Math. Stat., 22, 79.
20. KULLBACK, S., 1959, Information Theory and Statistics (New York: Wiley).
21. FISHER, R. A., 1925, Proc. Cambridge Phil. Soc. 22, 700; FRIEDEN, B. R., 2000, Physics from Fisher Information A Unification (Cambridge: Cambridge University Press).
22. FISHER, R. A., 1925, Proc. Cambridge Phil. Soc. 22, 700; FRIEDEN, B. R., 2000, Physics from Fisher Information A Unification (Cambridge: Cambridge University Press).
23. ASH, R. B., 1965, Information Theory (New York: Interscience).
24. BRILLOUIN, L., 1956, Science and Information Theory (New York: Academic Press), 1956.
25. NALEWAJSKI, R.F., and PARR, R. G., 2000, Proc. Natl. Acad. Sci. USA, 97, 8879; 2001, J. phys. Chem. A, 105, 7391; NALEWAJSKI, R. F., and LOSKA, R., 2001, Theoret. Chem. Acc., 105, 374.
26. NALEWAJSKI, R.F., and PARR, R. G., 2000, Proc. Natl. Acad. Sci. USA, 97, 8879; 2001, J. phys. Chem. A, 105, 7391; NALEWAJSKI, R. F., and LOSKA, R., 2001, Theoret. Chem. Acc., 105, 374.
27. NALEWAJSKI, R.F., and PARR, R. G., 2000, Proc. Natl. Acad. Sci. USA, 97, 8879; 2001, J. phys. Chem. A, 105, 7391; NALEWAJSKI, R. F., and LOSKA, R., 2001, Theoret. Chem. Acc., 105, 374.
28. NALEWAJSKI, R. F., 2003, J. phys. Chem. A, 107, 3792; 2002, Acta. Chim. Phys. Debr., 34-35, 131; 2004, Ann. Phys., 13, 201.
29. NALEWAJSKI, R. F., 2003, J. phys. Chem. A, 107, 3792; 2002, Acta. Chim. Phys. Debr., 34-35, 131; 2004, Ann. Phys., 13, 201.
30. NALEWAJSKI, R. F., 2003, J. phys. Chem. A, 107, 3792; 2002, Acta. Chim. Phys. Debr., 34-35, 131; 2004, Ann. Phys., 13, 201.
31. NALEWAJSKI, R. F., 2002, Phys. Chem. Chem. Phys., 4, 1710; 2002, Int. J. molec. Sci., 3, 237; 2003, Adv. quantum Chem., 43, 119.
32. NALEWAJSKI, R. F., 2002, Phys. Chem. Chem. Phys., 4, 1710; 2002, Int. J. molec. Sci., 3, 237; 2003, Adv. quantum Chem., 43, 119.
33. NALEWAJSKI, R. F., 2002, Phys. Chem. Chem. Phys., 4, 1710; 2002, Int. J. molec. Sci., 3, 237; 2003, Adv. quantum Chem., 43, 119.
34. NALEWAJSKI, R. F., 2003, Chem. Phys. Lett., 367, 414; 372, 28; 375, 196.
35. NALEWAJSKI, R. F., 2003, Chem. Phys. Lett., 367, 414; 372, 28; 375, 196.
36. NALEWAJSKI, R. F., 2003, Chem. Phys. Lett., 367, 414; 372, 28; 375, 196.
37. NALEWAJSKI, R. F., ŚWITKA, E., and MICHALAK, A., 2002, Int. J. quantum Chem., 87, 198; NALEWAJSKI, R. F., and ŚWITKA, E., 2002, Phys. Chem. chem. Phys., 4, 4952; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, J. phys. Chem. A, 107, 6270; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, Chem. Phys. Lett., 376, 33.
38. NALEWAJSKI, R. F., ŚWITKA, E., and MICHALAK, A., 2002, Int. J. quantum Chem., 87, 198; NALEWAJSKI, R. F., and ŚWITKA, E., 2002, Phys. Chem. chem. Phys., 4, 4952; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, J. phys. Chem. A, 107, 6270; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, Chem. Phys. Lett., 376, 33.
39. NALEWAJSKI, R. F., ŚWITKA, E., and MICHALAK, A., 2002, Int. J. quantum Chem., 87, 198; NALEWAJSKI, R. F., and ŚWITKA, E., 2002, Phys. Chem. chem. Phys., 4, 4952; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, J. phys. Chem. A, 107, 6270; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, Chem. Phys. Lett., 376, 33.
40. NALEWAJSKI, R. F., ŚWITKA, E., and MICHALAK, A., 2002, Int. J. quantum Chem., 87, 198; NALEWAJSKI, R. F., and ŚWITKA, E., 2002, Phys. Chem. chem. Phys., 4, 4952; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, J. phys. Chem. A, 107, 6270; NALEWAJSKI, R. F., and BRONIATOWSKA, E., 2003, Chem. Phys. Lett., 376, 33.