Symmetry operation measures

Journal of Computational Chemistry

Volumn 29, Issue 2, 2008, Pages 190-197

  Pinsky, Mark ^a   Casanova, David ^b   Alemany, Pere ^b   Alvarez, Santiago ^b   Avnir, David ^a   Dryzun, Chaim ^a   Kizner, Ziv ^c   Sterkin, Alexander ^a,d  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF BARCELONA   (Spain)

^c BAR ILAN UNIVERSITY   (Israel)

^d WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

Improper rotation; Inversion; Reflection; Rotation; Symmetry; Symmetry measure; Symmetry operation

Indexed keywords

MIRRORS; NUMERICAL METHODS; REFLECTION; ROTATION;

IMPROPER ROTATION; MATHEMATICAL TOOLS; SYMMETRY MEASURES; SYMMETRY OPERATION;

MOLECULAR STRUCTURE;

ABSORPTION; ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; COMPUTER SIMULATION; METHODOLOGY; ROTATION; STANDARD;

ABSORPTION; ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; MOLECULAR STRUCTURE; ROTATION; WEIGHTS AND MEASURES;

EID: 37649024342     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20772     Document Type: Article

References (43)

1. (a) Ronkko, T.; Tervo, A. J.; Parkkinen, J.; Poso, A. J. Computer-Aided Mol Design 2006, 20, 227;
2. (b) Constans, P. J Comput Chem 2002, 23, 1305;
3. (c) Constans, P.; Amat, L.; Carbó-Dorca, R. J Comput Chem 1997, 18, 826.
4. Tourassi, G. D.; Harrawood, B.; Singh, S.; Lo, J. Y.; Floyd, C. E. Med Phys 2007, 34, 140.
5. van der Weken, D.; Nachtegael, M.; Kerre, E. Image Vision Comput 2007, 25, 184.
6. Szmidt, E.; Kacprzyk, J. Artif Intellig Soft Comp ICAISC 2006, Proceedings 2006, 4029, 314.
7. (a) Mezey, P. G. Mol Phys 1999, 96, 169;
8. (b) Mezey, P. G. Int J Quan Chem 1997, 63, 39;
9. (c) Walker, P. D.; Mezey, P. G. J Comput Chem 1995, 16, 1238;
10. (d) Mezey, P. G.; Fukui, K.; Arimoto, S.; Taylor, K. Int J Quan Chem 1998, 66, 99.
11. Leherte, L. J Comput Chem 2006, 27, 1800.
12. (a) Bultinck, P.; Gironés, X.; Carbó-Dorca, R. Rev Comput Chem 2005, 21, 127;
13. (b) Gironés, X.; Carbó-Dorca, R. QSAR Comb Science 2006, 25, 579;
14. (c) Carbó-Dorca, R.; Besalu, E. J Math Chem 2006, 39, 495;
15. (d) Carbó-Dorca, R. J Math Chem 2006, 39, 551;
16. (e) Gironés, X.; Ponec, R. J Chem Inform Model 2006, 46, 1388.
17. Keller, J. M.; Bezdek, J. C.; Popescu, M.; Pal, N. R.; Mitchell, J. A.; Huband, J. M. Int J Uncertainty Fuzziness Knowledge-Based Syst 2006, 14, 639.
18. (a) Zabrodsky, H.; Peleg, S.; Avnir, D. J Am Chem Soc 1992, 114, 7843;
19. (b) Zabrodsky, H.; Peleg, S; Avnir, D. IEEE Trans Pattern Anal Machine Intelligence 1995, 17, 1154.
20. Yogev-Einot, D.; Avnir, D. Chem Mater 2003, 15, 464.
21. (a) Zabrodsky, H.; Avnir, D. J. Am Chem Soc 1995, 117, 462;
22. (b) Keinan, S.; Avnir, D. J Am Chem Soc 1998, 120, 6152.
23. Alvarez, S.; Alemany, P.; Avnir, D. Chem Soc Rev 2005, 34, 313.
24. Alvarez, S.; Alemany, P.; Casanova, D.; Cirera, J.; Llunell, M.; Avnir, D. Coord Chem Rev 2005, 249, 1693.
25. Pinsky, M.; Avnir, D. Inorg Chem 1998, 37, 5575.
26. (a) Gilat, G. J Math Chem 1994, 15, 197;
27. (b) Petitjean, J. Entropy 2003, 5, 271;
28. (c) Siedle, A. R.; Theissen, K. M.; Stevens, J. J Mol Catalysis A Chem 2003, 191, 167.
29. (a) Handgraaf, J. W.; Reek, J. N. H.; Bellarosa, L.; Zerbetto, F. Adv Synth Catal 2005, 347, 792;
30. (b) Alonso, P. L.; Forniés, J.; García-Monforte, M. A.; Martín, A.; Menjón, B. Chem Eur J 2005, 11, 4713;
31. (c) Jenkins, D. M.; Peters, J. C. J Am Chem Soc 2005, 127, 7148;
32. (d) Bellarosa, L.; Zerbetto F. J Am Chem Soc 2003, 125, 1975;
33. (e) Kane, S. A. Langmuir 2002, 18, 9853;
34. (f) Lipkowitz, K. B.; Schefzick, S. Chirality 2002, 14, 677.
35. (a) Alvarez, S. J Am Chem Soc 2003, 125, 6795;
36. (b) Steinberg, A.; Kami, M.; Avnir, D. Chem Eur J 2006, 12, 8534;
37. (c) Yogev-Einot, D.; Avnir, D. Tetrahedron: Asymmetry 2006, 17, 2723.
38. (a) Cirera, J.; Alemany, P.; Alvarez, S. Chem Eur J 2004, 10, 190;
39. (b) Keinan, S.; Avnir, D. J Chem Soc, Dalton Trans 2001, 941.
40. Casanova, D.; Cirera, J.; Llunell, M.; Alemany, P.; Avnir, D.; Alvarez, S. J Am Chem Soc 2004, 126, 1755.
41. Cirera, J.; Ruiz, E.; Alvarez, S. Eur J 2006, 12, 3162.
42. Alvarez, S.; Llunell, M. J Chem Soc Dalton Trans 2000, 3288.
43. David Casanova, PhD Thesis, University of Barcelona, Barcelona, 2006.