Optimization and evaluation of data quality for charge density studies

Journal of Applied Crystallography

Volumn 41, Issue 2, 2008, Pages 340-349

  Zhurov, Vladimir V ^a   Zhurova, Elizabeth A ^a   Pinkerton, A Alan ^a  

^a UNIVERSITY OF TOLEDO   (United States)

Author keywords

Area detectors; Charge density; Hardware evaluation; Software evaluation; Statistical analysis of results

Indexed keywords

EID: 40849130238     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S0021889808004482     Document Type: Article

References (23)

1. Abrahams, S. C. & Keve, E. T. (1971). Acta Cryst. A27, 157-165.
2. Blessing, R. H. (1987). Crystallogr. Rev. 1, 3-58.
3. Coppens, P. (1997). X-ray Charge Densities and Chemical Bonding. Oxford University Press.
4. Hardie, M. J., Kirschbaum, K., Martin, A. & Pinkerton, A. A. (1998). J. Appl. Cryst. 31, 815-817.
5. Hirshfeld, F. L. (1976). Acta Cryst. A32, 239-244.
6. Hirshfeld, F. L. (1992). Accurate Molecular Structures, Their Determination and Importance, edited by A. Domenicano & I. Hargittai, pp. 237-269. Oxford University Press.
7. Kirschbaum, K., Martin, A. & Pinkerton, A. A. (1997). J. Appl. Cryst. 30, 514-516.
8. Koritsanszky, T., Howard, S., Mallison, P. R., Su, Z., Ritcher, T. & Hansen, N. K. (1995). XD. University of Berlin, Germany.
9. Larsen, F. K. (1995). Acta Cryst. B51, 468-482.
10. Lehmann, M. L. (1978). Electron and Magnetization Densities in Molecules and Crystals, edited by P. Becker, pp. 287-322, 355-372. New York: Plenum Press.
11. Martin, A. & Pinkerton, A. A. (1998). Acta Cryst. B54, 471-477.
12. Otwinowski, Z. & Minor, W. (1997). Methods Enzymol. 276, 307-326.
13. Pinkerton, A. A. (2000). Electron, Spin, and Momentum Densities and Chemical Reactivity, edited by P. G. Mezy & B. Robertson, pp. 213-223. Dordrecht: Kluwer.
14. Ribaud, L., Wu, G., Zhang, Y. & Coppens, P. (2001). J. Appl. Cryst. 34, 76-79.
15. Stevens, E. D. & Coppens, P. (1980). Acta Cryst. B36, 1864-1876.
16. Tsirelson, V. G. & Ozerov, R. P. (1996). Electron Density and Bonding in Crystals. Bristol: Institute of Physics Publishing.
17. Wu, G., Rodrigues, B. L. & Coppens, P. (2002). J. Appl. Cryst. 35, 356-359.
18. Zaleski, J., Wu, G. & Coppens, P. (1998). J. Appl. Cryst. 31, 302-304.
19. Zhurov, V. V., Zhurova, E. A., Chen, Y.-S. & Pinkerton, A. A. (2005). J. Appl. Cryst. 38, 827-829.
20. Zhurova, E. A., Matta, C. F., Wu, N., Zhurov, V. V. & Pinkerton, A. A. (2006) J. Am. Chem. Soc. 128, 8849-8861.
21. Zhurova, E. A., Tsirelson, V. G., Zhurov, V. V., Stash, A. I. & Pinkerton, A. A. (2006). Acta Cryst. B62, 513-520.
22. Zhurova, E. A., Zhurov, V. V. & Pinkerton, A. A. (2007). J. Am. Chem. Soc. 129, 13887-13893.
23. Zhurova, E. A., Zhurov, V. V. & Tanaka, K. (1999). Acta Cryst. B55, 917-922.