On the origin of topological differences between experimental and theoretical crystal charge densities

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 56, Issue 4, 2000, Pages 332-339

  Volkov, Anatoliy ^a   Abramov, Yuriy ^a   Coppens, Philip ^a   Gatti, Carlo ^b  

^a UNIVERSITY AT BUFFALO   (United States)

^b UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

4 NITROANILINE; 4 NITROPHENOL;

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; STRUCTURE ANALYSIS;

EID: 0034485220     PISSN: 01087673     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108767300003202     Document Type: Article

References (10)

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3. Becke, A. D. (1993). J. Chem. Phys. 98, 5648-5652.
4. Bianchi, R., Gatti, C., Adovasio, V. & Nardelli, M. (1996). Acta Cryst. B52, 471-478.
5. Bianchi, R., Gervasio, G. & Viscardi, G. (1998). Acta Cryst. B54, 66-72.
6. Biegler-König, F. W., Bader, R. F. & Tang, T.-H. (1982). J. Comput. Chem. 13, 317-328.
7. Boys, S. F. & Bernardi, F. (1970). Mol. Phys. 19, 553-566.
8. Clementi, E. & Roetti, C. (1974). At. Data Nucl. Data Tables, 14, 177-478.
9. Coppens, P. (1997). X-ray Charge Densities and Chemical Bonding. New York: Oxford University Press.
10. Coppens, P., Abramov, Yu., Carducci, M., Korjov, B., Novozhilova, I., Alhambra, C. & Pressprich, M. R. J. (1999). J. Am. Chem. Soc. 121, 2585-2593.