Local Ionization Energy and Local Polarizability

International Journal of Quantum Chemistry

Volumn 96, Issue 4, 2004, Pages 394-401

  Jin, Ping ^a   Murray, Jane S ^a   Politzer, Peter ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Ionization energy; Local ionization energy; Local polarizability; Polarizability

Indexed keywords

LOCAL IONIZATION ENERGY; LOCAL POLARIZABILITY;

CHEMICAL BONDS; ELECTRIC FIELD EFFECTS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; IONIZATION; POLARIZATION;

QUANTUM THEORY;

EID: 0742304644     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10717     Document Type: Conference Paper

References (67)

1. Jameson, C. J.; Buckingham, A. D. J Chem Phys 1980, 73, 5684.
2. Thakkar, A. J. In: Moore, J. H.; Spencer, N. D., eds. Encyclopedia of Chemical Physics and Physical Chemistry, vol. 1; Institute of Physics Publishing: Bristol, UK, 2001; chap. A1.5.
3. Fajans, K. Naturwissenschaften 1923, 11, 165.
4. Pearson, R. G. J Am Chem Soc 1963, 85, 3533.
5. Fajans, K. Struct Bond 1967, 3, 88.
6. Huheey, J. E.; Watts, J. C. Inorg Chem 1971, 10, 1553.
7. Huheey, J. E. J Org Chem 1971, 36, 204.
8. Politzer P. J Chem Phys 1987, 86, 1072.
9. Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York; 1989.
10. Vela, A.; Gazquez, J. L. J Am Chem Soc 1990, 112, 1490.
11. Politzer, P.; Huheey, J. E.; Murray, J. S.; Grodzicki, M. J Mol Struct Theochem 1992, 259, 99.
12. Hati, S.; Datta, D. J Phys Chem 1994, 98, 10451.
13. Hohm, U. J Chem Phys 1994, 101, 6362.
14. Chattaraj, P. K.; Sengupta, S. J Phys Chem 1996, 100, 16126.
15. Ghanty, T. K.; Ghosh, S. K. J Phys Chem 1996, 100, 12295.
16. Chattaraj, P. K.; Poddar, A. J Phys Chem A 1998, 102, 9944.
17. Chattaraj, P. K.; Fuentealba, P.; Jaque, P.; Toro-Labbe, A. J Phys Chem A 1999, 103, 9307.
18. Hohm, U. J Phys Chem A 2000, 104, 8418.
19. Pearson, R. G. J Chem Educ 1987, 64, 561.
20. Zhou, Z.; Parr, R. G. J Am Chem Soc 1989, 111, 1371.
21. Pearson, R. G. Acc Chem Res 1993, 26, 250.
22. Parr, R. G.; Zhou, Z. Ace Chem Res 1993, 26, 256.
23. Chattaraj, P. K.; Liu, G. H.; Parr, R. G. Chem Phys Lett 1995, 237, 171.
24. Ayers, P. W.; Parr, R. G. J Am Chem Soc 2000, 122, 2010.
25. Pauling, L.; Wilson, E. B. Jr. Introduction to Quantum Mechanics; MCGraw-Hill: New York, 1935.
26. Bohm, D. Quantum Theory; Prentice-Hall: Englewood Cliffs, NJ, 1951.
27. Jorgensen, C. K. Struct Bond 1966, 1, 234.
28. Dmitrieva, I. K.; Plindov, G. I. Phys Scripta 1983, 27, 402.
29. Glasstone, S. Text-book of Physical Chemistry; D. Van Nostrand: New York; 1940.
30. Teixeira-Dias, J. J. C.; Murrell, J. M. Mol Phys 1970, 19, 329.
31. Kerl, K.; Hausler, H. Ber Bunsenges Phys Chem 1984, 88, 992.
32. Gough, K. M. J Chem Phys 1989, 91, 2424.
33. Laidig, K. E.; Bader, R. F. W. J Chem Phys 1990, 93, 7213.
34. Politzer, P.; Murray, J. S.; Grice, M. E. Struct Bond 1993, 80, 101.
35. Brinck, T.; Murray, J. S.; Politzer, P. J Chem Phys 1993, 98, 4305.
36. Politzer, P.; Jin, P.; Murray, J. S. J Chem Phys 2002, 117, 8197.
37. Fricke, B. J Chem Phys 1986, 84, 862.
38. Politzer, P.; Murray, J. S.; Grice, M. E.; Brinck, T.; Ranganathan, S. J Chem Phys 1991, 95, 6699.
39. Hati, S.; Datta, D. J Phys Chem 1996, 100, 4828.
40. Handy, N. C.; Marron, M. T.; Silverstone, H. J. Phys Rev 1969, 180, 45.
41. Morrell, M. M.; Parr, R. G.; Levy, M. J Chem Phys 1975, 62, 549.
42. Hoffmann-Ostenhof, M.; Hoffmann-Ostenhof, T. Phys Rev A 1977, 16, 1782.
43. Silverstone, H. J. Phys Rev A 1981, 23, 1030.
44. Stott, M. J.; Zaremba, E. Phys Rev A 1980, 21, 12.
45. Miller, K. J. J Am Chem Soc 1990, 112, 8533.
46. Lide, D. R., Ed. Handbook of Chemistry and Physics, 78th ed.; New York: CRC Press; 1997.
47. Bader, R. F. W.; Carroll, M. T.; Cheeseman, J. R.; Chang, C. J Am Chem Soc 1987, 109, 7968.
48. Sjoberg, P.; Murray, J. S.; Brinck, T.; Politzer, P. Can J Chem 1990, 68, 1440.
49. Nesbet, R. K. Adv Chem Phys 1965, 9, 321.
50. Koopmans, T. A. Physica 1933, 1, 104.
51. Murray, J. S.; Politzer, P. In: Parkanyi, C., ed. Theoretical Organic Chemistry; Elsevier: Amsterdam, 1998; chap. 7.
52. Nagy, A.; Parr, R. G.; Liu, S. Phys Rev A 1996, 53, 3117.
53. Ayers, P. W.; Parr, R. G.; Nagy, A. Int J Quantum Chem 2002, 90, 309.
54. Murray, J. S.; Seminario, J. M.; Politzer, P.; Sjoberg, P. Int J Quantum Chem Quantum Chem Symp 1990, 24, 645.
55. Murray, J. S.; Brinck, T.; Politzer, P. J Mol Struct Theochem 1992, 255, 271.
56. Murray, J. S.; Brinck, T.; Grice, M. E.; Politzer, P. J Mol Struct Theochem 1992, 256, 29.
57. Brinck, T.; Murray, J. S.; Politzer, P. Int J Quantum Chem 1993, 48, 73.
58. Politzer, P.; Abu-Awwad, F.; Murray, J. S. Int J Quantum Chem 1998, 69, 607.
59. Murray, J. S.; Peralta-Inga, Z.; Politzer, P.; Ekanayake, K.; LeBreton, P. Int J Quantum Chem 2001, 83, 245.
60. Politzer, P.; Murray, J. S.; Concha, M. C. Int J Quantum Chem 2002, 88, 19.
61. Nakano, M.; Shigemoto, I.; Yamada, S.; Yamaguchi, K. J Chem Phys 1995, 103, 4175.
62. Nakano, M.; Fujita, H.; Takahata, M.; Yamaguchi, K. J Chem Phys 2001, 115, 1052.
63. Ross, S.; Olivier, J. P. On Physical Adsorption; Wiley-Inter-science: New York, 1964; Table VI-2.
64. Le Fevre, R. J. W. Adv Phys Org Chem 1965, 3, 1.
65. Applequist, J. Acc Chem Res 1977, 10, 79.
66. Stone, A. J. Mol Phys 1985, 56, 1065.
67. Bader, R. F. W.; Keith, T. A.; Gough, K. M.; Laidig, K. E. Mol Phys 1992, 75, 1167.