Curvature of interatomic surfaces. II. Origin and systematics

Journal of Chemical Physics

Volumn 119, Issue 15, 2003, Pages 7643-7650

  Martin Penda A ^a   Luana V ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARRIER CONCENTRATION; CORRELATION METHODS; STIFFNESS; TOPOLOGY;

INTERATOMIC SURFACES;

MOLECULAR DYNAMICS;

EID: 0242352674     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1607964     Document Type: Article

References (16)

1. A. Martín Pendás and. V. Luaña, J. Chem. Phys., 119, 7633 (2003) (preceding paper).
2. R. F. W. Bader, Atoms in Molecules (Oxford University Press, Oxford, 1990).
3. P. L. A. Popelier, Can. J. Chem. 74, 829 (1996).
4. M. P. do Carmo, Differential Geometry of Curves and Surfaces (Prentice-Hall, Englewood Cliffs, NJ, 1976).
5. A. Martín Pendás, A. Costales, and V. Luaña, J. Phys. Chem. B 102, 6937 (1998).
6. A. Martín Pendás, M. A. Blanco, A. Costales, P. Mori Sánchez, and V. Luaña, Phys. Rev. Lett. 83, 1930 (1999).
7. A. Martín Pendás, V. Luaña, L. Pueyo, E. Francisco, and P. Mori Sánchez, J. Chem. Phys. 117, 1017 (2002).
8. E. Clementi and C. Roetti, At. Data Nucl. Data Tables 14, 177 (1974).
9. A. Martín Pendás, A. Costales, M. A. Blanco, J. M. Recio, and V. Luaña, Phys. Rev. B 62, 13970 (2000).
10. J. Hernaández-Trajillo and R. F. W. Bader, J. Phys. Chem. A 104, 1779 (2000).
11. P. Mori Sánchez, A. Martián Pendás, and V. Luaña, Phys. Rev. B 63, 125103 (2001).
12. R. G. Parr and R. G. Pearson, J. Am. Chem. Soc. 105, 7512 (1983).
13. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
14. R. J. Boyd and S. L. Boyd, J. Am. Chem. Soc. 114, 1652 (1992); L. Komorowski, S. L. Boyd, and R. J. Boyd, J. Phys. Chem. 100, 3448 (1996).
15. R. J. Boyd and S. L. Boyd, J. Am. Chem. Soc. 114, 1652 (1992); L. Komorowski, S. L. Boyd, and R. J. Boyd, J. Phys. Chem. 100, 3448 (1996).
16. J. L. Gasquez and R. Ortiz, J. Chem. Phys. 157, 45 (1991).