Generalized chirality and symmetry deficiency

Journal of Mathematical Chemistry

Volumn 23, Issue 1-2, 1998, Pages 65-84

  Mezey, Paul G ^a  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032393952     PISSN: 02599791     EISSN: None     Source Type: Journal    
DOI: 10.1023/a:1019121208423     Document Type: Article

References (79)

1. J. Andzelm and E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
2. G.A. Arteca, N.D. Grant and P.G. Mezey, J. Comput. Chem. 12 (1991) 1198.
3. G.A. Arteca and RG. Mezey, Chem. Phys. 161 (1992) 1.
4. R.F.W. Bader and T.T. Nguyen-Dang, Adv. Quantum Chem. 14 (1981) 63.
5. A. Becke, J. Chem. Phys. 84 (1986) 4524.
6. A. Becke, Phys. Rev. A 33 (1986) 2786.
7. A. Becke, J. Chem. Phys. 88 (1988) 1053.
8. A. Becke, Phys. Rev. A 38 (1988) 3098.
9. J. Cioslowski, J. Phys. Chem. 94 (1990) 5496.
10. J. Cioslowski and E.D. Fleischmann, J. Chem. Phys. 94 (1991) 3730.
11. J. Cioslowski and S.T. Mixon, Can. J. Chem. 70 (1992) 443.
12. J. Cioslowski, S.T. Mixon and W.D. Edwards, J. Am. Chem. Soc. 113 (1991) 1083.
13. J. Cioslowski, S.T. Mixon and E.D. Fleischmann, J. Am. Chem. Soc. 113 (1991) 4751.
14. J. Cioslowski, P.B. O'Connor and E.D. Fleischmann, J. Am. Chem. Soc. 113 (1991) 1086.
15. K. Collard and G.G. Hall, Int. J. Quantum Chem. 12 (1977) 623.
16. Ph. Coppens and M.B. Hall, eds., Electron Distributions and the Chemical Bond (Plenum Press, New York, 1982).
17. V. Fock, Z. Physik 61 (1930) 126.
18. M.J. Frisch, M. Head-Gordon, G.W. Trucks, J.B. Foresman, H.B. Schlegel, K. Raghavachari, M.A. Robb, J.S. Binkely, C. Gonzalez, D.J. DeFrees, D.J. Fox, R.A. Whiteside, R. Seeger, C.G. Melius, J. Baker, R.L. Martin, L.R. Kahn, J.J.P. Stewart, S. Topiol and J.A. Pople, Gaussian 92, Gaussian Inc., Pittsburgh, PA (1992).
19. G.G. Hall, Proc. Roy. Soc. London Ser. A 205 (1951) 541.
20. D.R. Hartree, Proc. Cambridge Phil. Soc. 24 (1928) 111, 426.
21. D.R. Hartree, Proc. Cambridge Phil. Soc. 25 (1929) 225, 310.
22. P. Hohenberg and W. Kohn, Phys. Rev. B 136 (1964) 864.
23. W. Kohn and L.J. Sham, Phys. Rev. A 140 (1965) 1133.
24. E.S. Kryachko and E.V. Ludena, Density Functional Theory of Many-Electron Systems (Kluwer, Dordrecht, 1989).
25. J.K. Labanowski and J. Andzelm, eds., Density Functional Methods in Chemistry (Springer, New York, 1991).
26. M. Levy, Bull. Amer. Phys. Soc. 24 (1979) 626.
27. M. Levy, Proc. Natl. Acad. Sci. USA 76 (1979) 6062.
28. M. Levy, Phys. Rev. A 26 (1982) 1200.
29. M. Levy, Adv. Quantum Chem. 21 (1990) 69.
30. E.V. Ludena, J. Chem. Phys. 79 (1983) 6174.
31. R. McWeeny and B.T. Sutcliffe, Methods of Molecular Quantum Mechanics (Academic Press, New York, 1969).
32. P.G. Mezey, Int. J. Quantum Chem. Quantum Biol. Symp. 12 (1986) 113.
33. P.G. Mezey, Int. J. Quantum Chem. Quantum Biol. Symp. 14 (1987) 127.
34. P.G. Mezey, J. Comput. Chem. 8 (1987) 462.
35. P.G. Mezey, Potential Energy Hypersurfaces (Elsevier, Amsterdam, 1987).
36. P.G. Mezey, J. Math. Chem. 2 (1988) 325.
37. P.G. Mezey, J. Am. Chem. Soc. 112 (1990) 3791.
38. P.G. Mezey, Three-dimensional topological aspects of molecular similarity, in: Concepts and Applications of Molecular Similarity, eds. M.A. Johnson and G.M. Maggiora (Wiley, New York, 1990).
39. P.G. Mezey, Topological quantum chemistry, in: Reports in Molecular Theory, eds. H. Weinstein and G. Naray-Szabó (CRC Press, Boca Raton, 1990).
40. P.G. Mezey, Shape in Chemistry: An Introduction to Molecular Shape and Topology (VCH Publishers, New York, 1993).
41. P.G. Mezey, Density domain bonding topology and molecular similarity measures, in: Molecular Similarity, ed. K. Sen, Topics in Current Chemistry, Vol. 173 (Springer, Heidelberg, 1995).
42. P.G. Mezey, J. Math. Chem. 18 (1995) 141.
43. P.G. Mezey, Methods of molecular shape-similarity analysis and topological shape design, in: Molecular Similarity in Drug Design, ed. P.M. Dean (Chapman & Hall-Blackie Publishers, Glasgow, 1995).
44. P.G. Mezey, Program ADMA 95, Mathematical Chemistry Research Unit, University of Saskatchewan, Saskatoon, SK, Canada (1995).
45. P.G. Mezey, Structural Chem. 6 (1995) 261.
46. P.G. Mezey, Adv. Molec. Similarity 1 (1996) 89.
47. P.G. Mezey, Adv. Quantum Chem. 27 (1996) 163.
48. P.G. Mezey, Local shape analysis of macromolecular electron densities, in: Computational Chemistry: Reviews and Current Trends, Vol. 1, ed. J. Leszczynski (World Scientific Publ., Singapore, 1996).
49. P.G. Mezey, Int. J. Quantum Chem. 63 (1997) 39.
50. P.G. Mezey, Int. Rev. Phys. Chem. 16 (1997) 361.
51. P.G. Mezey, Pharmaceut. News 4 (1997) 29.
52. P.G. Mezey, Chemical bonding in proteins and other macromolecules, in: Pauling's Legacy: Modern Theory of Chemical Bonding, eds. Z. Maksic and W.J. Orville-Thomas (Elsevier, Amsterdam, 1998).
53. P.G. Mezey, Molec. Phys., to be published (1998).
54. P.G. Mezey, Z. Zimpel, P. Warburton, P.D. Walker, D.G. Irvine, D.G. Dixon and B. Greenberg, J. Chem. Inf. Comput. Sci. 36 (1996) 602.
55. R.S. Mulliken, J. Chem. Phys. 23 (1955) 1833, 1841, 2338, 2343.
56. R.S. Mulliken, J. Chem. Phys. 36 (1962) 3428.
57. I. Pápai, A. Goursot, A. St.-Amant and D.R. Salahub, Theoret. Chim. Acta 84 (1992) 217.
58. R.G. Parr, Proc. Natl. Acad. Sci. USA 72 (1975) 763.
59. R.G. Parr, J. Phys. Chem. 92 (1988) 3060.
60. R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Clarendon Press, Oxford, 1989).
61. J.R Perdew, Phys. Rev. B 33 (1986) 8822.
62. F.L. Pilar, Elementary Quantum Chemistry (McGraw-Hill, New York, 1968).
63. P. Politzer, J. Chem. Phys. 86 (1987) 1072.
64. J. Riess and W. Münch, Theoret. Chim. Acta 58 (1981) 295.
65. C.C. Roothaan, Rev. Mod. Phys. 23 (1951) 69.
66. C.C. Roothaan, Rev. Mod. Phys. 32 (1960) 179.
67. D.R. Salahub, Adv. Chem. Phys. 69 (1987) 447.
68. J.M. Seminario and P. Politzer, Int. J. Quantum Chem. Symp. 26 (1992) 497.
69. A. Szabo and N.S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (MacMillan, New York, 1982).
70. A. Tachibana, Int. J. Quantum Chem. 34 (1988) 309.
71. Y. Tal, R.F.W. Bader, T.T. Nguyen-Dang, M. Ojha and S.G. Anderson, J. Chem. Phys. 74 (1981) 5162.
72. P.D. Walker and P.G. Mezey, J. Am. Chem. Soc. 115 (1993) 12423.
73. P.D. Walker and P.G. Mezey, Can. J. Chem. 72 (1994) 2531.
74. P.D. Walker and P.G. Mezey, J. Am. Chem. Soc. 116 (1994) 12022.
75. P.D. Walker and P.G. Mezey, J. Comput. Chem. 16 (1995) 1238.
76. P.D. Walker and P.G. Mezey, J. Math. Chem. 17 (1995) 203.
77. T. Ziegler, Chem. Rev. 91 (1991) 651.
78. Z. Zimpel and P.G. Mezey, Int. J. Quantum Chem. 59 (1996) 379.
79. Z. Zimpel and P.G. Mezey, Int. J. Quantum Chem. 64 (1997) 669.