Model of the physical properties of halides with complete graph-based indices

International Journal of Quantum Chemistry

Volumn 102, Issue 1, 2005, Pages 38-52

  Pogliani, Lionello ^a,b  

^a UNIVERSITY OF CALABRIA   (Italy)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

Complete graphs; Core electrons; Electron density; Polarizabilities; QSPR of energies

Indexed keywords

ALGORITHMS; CARRIER CONCENTRATION; CHEMICAL ACTIVATION; ENTHALPY; GRAPH THEORY; MATHEMATICAL MODELS; PHYSICAL PROPERTIES; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

COMPLETE GRAPH-BASED INDICES; CORE ELECTRONS; CRYSTAL POLARIZABILITY; QSPR OF ENERGIES; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS (QSPR);

HALOGEN COMPOUNDS;

EID: 14544285881     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20295     Document Type: Article

References (39)

1. Pogliani, L. J Chem Inf Comput Sci 2002, 42, 1028.
2. Pogliani, L. New J Chem 2003, 27, 919.
3. Pogliani, L. J Comput Chem 2003, 24, 1097.
4. Pogliani, L. Ind J Chem 2003, 42A, 1347.
5. Pogliani, L. Croat Chem Acta 2004, 77, 193.
6. Pogliani, L. J Chem Inf Comput Sci 2004, 44, 42.
7. Randić, M. J Am Chem Soc 1975, 97, 6609.
8. Rouvray, D. H. J Mol Struct (Theochem) 1989, 185, 187.
9. Kier, L. B.; Hall, L. H. Molecular Connectivity in Structure-Activity Analysis; Wiley: New York, 1986.
10. Kier, L. B.; Hall, L. H. Molecular Structure Description. The Electrotopological State; Academic Press: San Diego, CA, 1999.
11. Pogliani, L. Chem Rev 2000, 100, 3827.
12. Pogliani, L. Chem Inf Comput Sci 2001, 41, 836.
13. Pogliani, L. J Mol Struct (Theochem) 2002, 581, 87.
14. Randić, M.; Basak, S. C. J Chem Inf Comput Sci 2001, 41, 614.
15. Schmid, R. J Chem Educ 2003, 80, 931.
16. Matta, C. F.; Gillespie, R. J. J Chem Educ 2002, 79, 1141.
17. Gillepsie, R. J. J Chem Educ 2001, 78, 1688.
18. Laing, M. Educ Chem 1993, 30, 160.
19. Trinajstić, N. Chemical Graph Theory; 2nd ed.; CRC Press: Boca Raton, FL, 1992.
20. Todeschini, R.; Consonni, V. The Handbook of Molecular Descriptors; Wiley-VC: Weinheim, 2000.
21. Harary, F. Graph Theory; Addison-Wesley: Reading, MA, 1971.
22. Rosen, K. H. Discrete Mathematics and Its Applications; McGraw-Hill: New York, 1995.
23. Harary, F.; Read, R. Proc. Graphs and Combinatorics Conference, George Washington University. Springer: New York, 1977. In The Book of Nothing; Barrow, J. D. Vintage Books: New York, 2000; p 155.
24. Harary, F.; Read, R. Proc. Graphs and Combinatorics Conference, George Washington University. Springer: New York, 1977. In The Book of Nothing; Barrow, J. D. Vintage Books: New York, 2000; p 155.
25. Pogliani, L. Croat Chem Acta 2002, 75, 409.
26. Pogliani, L. In Topology in Chemistry; King, R. B.; Rouvray, D. (Eds.); Harwood: New York, 2001; p 208-242.
27. Carter, A. A. J Chem Educ 2000, 77, 1081.
28. Magomedov, M. N. Russ J Phys Chem 1993, 67, 2055.
29. Kumar, M.; Kaur, A. J.; Shanker, J. J Chem Phys 1986, 84, 5735.
30. Kumar, M.; Shanker, J. J Chem Phys 1992, 96, 5289.
31. Tzuzuki, S.; Luthi, H. P. J Chem Phys 2001, 114, 3949.
32. Dykstra, C. E.; Lisy, J. M. J Mol Struct (Theochem) 2000, 500, 375.
33. Rich, R. L. U Chem Ed 2003, 7, 35.
34. Mihalić, Z.; Nikolić, S.; Trinajstić, N. J Chem Inf Comput Sci 1992, 32, 28.
35. Randić, M. J Comp Chem 1991, 12, 970.
36. Randić, M. New J Chem 1991, 15, 517.
37. Peterangelo, S. C.; Seybold, P. G. Int J Quantum Chem 2004, 96, 1.
38. Pogliani, L. In QSAR/QSPR Studies by Molecular Descriptors; Diudea, M. V., Ed.; Nova Science: New York, 2000; p 83-104.
39. Estrada, E. J Chem Phys A 2000, 106, 9085.