Molecular geometry and symmetry from a differential geometry viewpoint

International Journal of Quantum Chemistry

Volumn 64, Issue 6, 1997, Pages 669-678

  Zimpel, Zbigniew ^a   Mezey, Paul G ^a  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

Author keywords

Electron density; Molecular geometry; Symmetry; Symmorphy; Topology

Indexed keywords

EID: 0040392433     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)64:6<669::AID-QUA4>3.0.CO;2-U     Document Type: Article

References (81)

1. Z. Zimpel and P. G. Mezey, Int. J. Quant. Chem. 59, 379 (1996).
2. R. Carbó, L. Leyda, and M. Arnau, Int. J. Quant, Chem. 17, 1185 (1980).
3. E. E. Hodgkin and W. G. Richards, J. Chem. Soc. Chem. Commun. 1986, 1342 (1986).
4. R. Carbó and Ll. Domingo, Int, J. Quant. Chem. 32, 517 (1987).
5. E. E. Hodgkin and W. G. Richards, Int. J. Quant, Chem. 14, 105 (1987).
6. R. Carbó and B. Calabuig, Comput. Phys. Commun. 55, 117 (1989).
7. R. Carbó and B. Calabuig, Int. J. Quant. Chem. 42, 1681 (1992).
8. R. Carbó and B. Calabuig, Int. J. Quant. Chem. 42, 1695 (1992).
9. R. Carbó, B. Calabuig, L. Vera, and E. Besalu, In Advances in Quantum Chemistry, P.-O. Löwdin, J. R. Sabin, and M. C. Zerner (eds.), Vol. 25 (Academic Press, New York, 1994).
10. P. G. Mezey, Int. J. Quant. Chem. Quant. Biol. Symp. 12, 113 (1986).
11. P. G. Mezey, J. Comput. Chem. 8, 462 (1987).
12. P. G. Mezey, Int. J. Quant. Chem. Quant. Biol. Symp. 14, 127 (1987).
13. P. G. Mezey, J. Math. Chem. 2, 299 (1988).
14. S. E. Leicester, J. L. Finney, and R. P. Bywater, J. Mol. Graph. 6, 104 (1988).
15. R. P. Bywater, In Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches, R. Carbo (ed.) (Kluwer Academic, Dordrecht, The Netherlands, 1995).
16. N. L. Allan and D. L. Cooper, J. Chem. Inf. Comp. Sci. 32, 587 (1992).
17. D. L. Cooper and N. L. Allan, In Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches, R. Carbó (ed.) (Kluwer Academic, Dordrecht, The Netherlands, 1995).
18. G. A. Arteca, V. B. Jammal, and P. G. Mezey, J. Comput. Chem. 9, 608 (1988).
19. G. A. Arteca, V. B. Jammal, P. G. Mezey, J. S. Yadav, M. A. Hermsmeier, and T. M. Gund, J. Molec. Graph. 6, 45 (1988).
20. M. A. Johnson, J. Math. Chem. 3, 117 (1989).
21. G. A. Arteca and P. G. Mezey, J. Phys. Chem. 93, 4746 (1989).
22. G. A. Arteca and P. G. Mezey, IEEE Eng. Med. & Bio. Soc. 11th Annual Int. Conf. 11, 1907 (1989).
23. M. A. Johnson and G. M. Maggiora (eds.), Concepts and Applications of Molecular Similarity (Wiley, New York, 1990).
24. C. Burt, W. G. Richards, and P. Huxley, J. Comput. Chem. 11, 1139 (1990).
25. P. G. Mezey, In Reports in Molecular Theory, H. Weinstein and G. Náray-Szabó (eds.) (CRC Press, Boca Raton, 1990), Vol. 1, pp. 165-183.
26. P. G. Mezey, In Concepts and Applications of Molecular Similarity, M. A. Johnson and G. M. Maggiora (eds.) (Wiley, New York, 1990).
27. P. G. Mezey, In Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd (eds.) (VCH Publishers, New York, 1990).
28. P. G. Mezey, J. Math. Chem. 7, 39 (1991).
29. A. Good and W. G. Richards, J. Chem. Inf. Sci. 33, 112 (1992).
30. J. Cioslowski and S. T. Mixon, J. Am. Chem. Soc. 114, 4382 (1992).
31. J. Cioslowski and S. T. Mixon, Canad. J. Chem. 70, 443 (1992).
32. C. D. Zachmann, W. Heiden, M. Schlenkrich, and J. Brickmann, J. Comput. Chem. 13, 76 (1992).
33. R. Ponec and M. Strnad, J. Chem. Inf. Comp. Sci. 32, 693 (1992).
34. J. Gasteiger, W.-D. Ihlenfeldt, R. Fick, and J. R. Rose, J. Chem. Inf. Comp. Sci. 32, 700 (1992).
35. G. Sello, J. Chem. Inf. Comp. Sci. 32, 713 (1992).
36. S. Hanessian, M. Botta, B. Larouche, and A. Boyaroglu, J. Chem. Inf. Comp. Sci. 32, 718 (1992).
37. U.-M. Weigel and R. Merges, J. Chem. Inf. Comp. Sci. 32, 723 (1992).
38. G. M. Maggiora, D. W. Elrod, and R. G. Trenary, J. Chem. Inf. Comp. Sci. 32, 732 (1992).
39. V. Kvasnicka, S. Sklenak, and J. Pospichal, J. Chem. Inf. Comp. Sci. 32, 742 (1992).
40. P. G. Mezey, J. Math. Chem. 11, 27 (1992).
41. P. G. Mezey, J. Chem. Inf. Comp. Sci. 32, 650 (1992).
42. P. G. Mezey, In Theoretical and Computational Models for Organic Chemistry, S. J. Formosinho, I. G. Csizmadia, and L. G. Arnaut (eds.) (Kluwer Academic, Dordrecht, The Netherlands, 1991).
43. J.-E. Dubois and P. G. Mezey, Int. J. Quant. Chem. 43, 647 (1992).
44. X. Luo, G. A. Arteca, and P. G. Mezey, Int. J. Quant. Chem. 42, 459 (1992).
45. P. G. Mezey, J. Math. Chem. 12, 365 (1993).
46. P. G. Mezey, Shape in Chemistry: An Introduction to Molecular Shape and Topology (VCH Publishers, New York, 1993).
47. P. G. Mezey, J. Chem. Inf. Comp. Sci. 34, 244 (1994).
48. P. G. Mezey, Int. J. Quant. Chem. 51, 255 (1994).
49. P. G. Mezey, Canad. J. Chem. 72, 928 (1994) (special issue dedicated to Prof. J. C. Polanyi).
50. O. Tapia, M. Paulino, and F. M. L .G. Stamato, Mol. Eng. 3, 377 (1994).
51. B. B. Stefanov and J. Cioslowski, J. Comput. Chem. 16, 1394 (1995).
52. J. A. Grant and B. T. Pickup, J. Phys. Chem. 99, 3503 (1995).
53. G. Náray-Szabó and G. G. Ferenczy, Chem. Rev. 95, 829 (1995).
54. J. Sadowski, M. Wagener, and J. Gasteiger, Angew. Chem. Int. Ed. Engl. 34, 2674 (1995).
55. J. H. Schuur, P. Selzer, and J. Gasteiger, J. Chem. Inf. Comp. Sci. 36, 334 (1996).
56. D. J. Wild and P. Willett, J. Chem. Inf. Comp. Sci. 36, 159 (1996).
57. D. J. Hankinson, J. Almlöf, and K. D. Leopold, J. Phys. Chem. 100, 6904 (1996).
58. P. G. Mezey, Structural Chem. 6, 261 (1995).
59. P. G. Mezey, In Topics in Current Chemistry, Vol. 173, Molecular Similarity, K. Sen (ed.) (Springer-Verlag, Heidelberg, 1995).
60. P. G. Mezey, In Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches, R. Carbó (ed.) (Kluwer Academic, Dordrecht, The Netherlands, 1995).
61. P. G. Mezey, In Molecular Similarity in Drug Design, P. M. Dean (ed.) (Chapman & Hall-Blackie Publishers, Glasgow, U.K., 1995).
62. P. D. Walker and P. G. Mezey, J. Comput. Chem. 16, 1238 (1995).
63. P. D. Walker, G. M. Maggiora, M. A. Johnson, J. D. Petke, and P. G. Mezey, J. Chem. Inf. Comp. Sci. 35, 568 (1995).
64. P. G. Mezey, Theor. Chim. Acta 92, 333 (1995).
65. P. G. Walker, P. G. Mezey, G. M. Maggiora, M. A. Johnson, and J. D. Petke, J. Comput. Chem. 16, 1474 (1995).
66. P. G. Mezey, In Computational Chemistry: Reviews and Current Trends, J. Leszczynski (ed.) (World Scientific, Singapore, 1996).
67. P. G. Mezey, In Fuzzy Logic in Chemistry, D. H. Rouvray (ed.) (Academic Press, San Diego, 1997).
68. P. G. Mezey, In Advances in Quantum Chemistry, P.-O. Löwdin, J. R. Sabin, and M. C. Zerner (eds.) (Academic Press, New York, 1996).
69. P. G. Mezey, Topology of Molecular Shape and Chirality, New Theoretical Concepts for Understanding Organic Reactions, J. Bertran (ed.), NATO ASI Series (Plenum, New York, 1989).
70. S. Arimoto and P. G. Mezey, J. Math. Chem. 16, 93 (1994).
71. Y. Choquet-Bruhat, Géométrie Différentielle et Systèmes Extérieurs (Dunod, Paris, 1968), Chap. 3.
72. P. G. Mezey, Int. J. Quant. Chem. 63, 39 (1997).
73. P. G. Mezey, J. Math. Chem. 18, 141 (1995).
74. P. Constans, R. Carbó-Dorca, and P. G. Mezey, to appear.
75. R. F. W. Bader, T. T. Nguyen-Dang, and Y. Tal, Rep. Prog. Phys. 44, 893 (1981).
76. P. D. Walker and P. G. Mezey, J. Am. Chem. Soc. 115, 12423 (1993).
77. P. D. Walker and P. G. Mezey, J. Am. Chem. Soc. 116, 12022 (1994).
78. P. D. Walker and P. G. Mezey, Canad. J. Chem. 72, 2531 (1994).
79. P. D. Walker and P. G. Mezey, J. Math. Chem. 17, 203 (1995).
80. P. D. Walker and P. G. Mezey, J. Comput. Chem. 16, 1238 (1995).
81. P. G. Mezey, Z. Zimpel, P. Warburton, P. D. Walker, D. G. Irvine, D. G. Dixon, and B. Greenberg, J. Chem. Inf. Comp. Sci. 36, 602 (1996).