Valence shell charge topology, atomic graphs, and electric field gradients in one- to four-bonded nitrogen atoms

Journal of Physical Chemistry

Volumn 100, Issue 13, 1996, Pages 5291-5298

  Aray, Yosslen ^a   Casilimas, Juan Carlos ^a,b   Murgich, Juan ^a  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b Centro Internacional de Fisica   (Colombia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0005294560     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952330p     Document Type: Article

References (29)

1. Blessing, R., Ed. Studies of Electron Distribution in Molecules and Crystals. Trans. Am. Cryst. Assoc.1990, 26.
2. Destro, R.; Bianchi, R.; Morosi, G. J. Phys. Chem. 1989, 93, 4447.
3. Lucken, E. A. C. Nuclear Quadrupole Coupling Constants; Academic: New York, 1969.
4. Smith, J. A. S. Chem. Soc. Rev. 1986, 15, 225.
5. Aray, Y.; Murgich, J. J. Chem. Phys. 1989, 91, 293.
6. Aray, Y.; Soscun, H.; Murgich, J. Int. J. Quantum Chem., Quantum Chem. Symp. 1991, 25, 587.
7. Aray, Y.; Murgich, J. J. Chem. Phys. 1992, 97, 9154.
8. Bader, R. F. W. Atoms in Molecules: a Quantum Theory; Oxford University Press: Oxford, U.K., 1990.
9. Bader, R. F. W.; Popelier, P. L. A.; Keith, T. A. Angew. Chem., Int. Ed. Engl. 1994, 33, 620.
10. Gaussian 92, Revision C; Frisch, M. J., Trucks, G. W., Head-Gordon, M., Gill, P. M. W., Wong, M. W., Foresman, J. B., Johnson, B. G., Schlegel, H. B., Robb, M. A., Replogle, E. S., Gomperts, R., Andres, J. L., Raghavachari, K., Binkley, J. S., Gonzalez, C., Martin, R. L., Fox, D. J., Defrees, D. J., Baker, J., Stewart, J. J. P., Pople, J. A., Eds.; Gaussian Inc.: Pittsburgh, PA, 1992.
11. Ditchfield, R.; Hehre, W. J.; Pople, J. A. Chem. Phys. 1970, 54, 724.
12. Bader, R. F. W. Private communication, 1993.
13. Hunt, M. J. J. Magn. Reson. 1974, 15, 113.
14. MacDougall, P. J.; Hall, M. B. In Studies of Electron Distribution in Molecules and Crystals. Trans. Am. Cryst. Assoc. 1990, 26, 105.
15. Bader, R. F. W.; MacDougall, P. J. J. Am. Chem. Soc. 1985, 107, 6788.
16. Aray, Y.; Murgich, J. J. Mol. Struct. 1993, 287, 229.
17. MacDougall, P. J.; Schrobilgen, G. J.; Bader, R. F. W. Inorg. Chem. 1989, 28, 763.
18. Murgich, J.; Pissanetzky, S. Chem. Phys. Lett. 1973, 18, 420.
19. Murgich, J. J. Chem. Phys. 1978, 68, 611.
20. Murgich, J.; Aray, Y.; Ospina Rico, E.; Bonalde, I. Z. Naturforsch. 1992, 47a, 96.
21. Murgich, J.; Aray, Y.; Soscun, H.; Marino, R. A. J. Phys. Chem. 1992, 96, 9198.
22. Aray, Y.; Gatti, C.; Murgich, J. J. Chem. Phys. 1994, 101, 9800.
23. Murgich, J.; Santana, R., M. J. Chem. Phys. 1981, 74, 3788.
24. Marino, R. A.; Murgich, J.; Gourdji, M.; Péneau, A.; Guibé, L. New J. Chem. 1987, 11, 495.
25. Murgich, J.; Aray, Y.; Ospina Rico, E. Z. Naturforsch. 1992, 47a, 217.
26. Edmonts, D. T.; Hunt, M. J.; Mackay, A. L. J. Magn. Reson. 1973, 9, 66.
27. Marino, R. A.; Oja, T. J. Chem. Phys. 1971, 56, 5453.
28. Murgich, J.; Abanero, J. A. J. Phys. Chem. 1986, 90, 6102.
29. Vega, S. J. Chem. Phys. 1974, 60, 3884.