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 Results for by Mallinson, P. R.
Classification and use of electron density data
Mallinson, P. R. and Brown, I. D., International Tables for Crystallography (2006). Vol. G, ch. 3.5, pp. 141-143 [ doi:10.1107/97809553602060000737 ]
Density functional theory of electronic structure. J. Phys. Chem. 100, 12974–12980. Google Scholar Koritsanszky, T., Richter, T., Macchi, P., Volkov, A., Gatti, C., Howard, S., Mallinson, P. R., Farrugia, L., Su, Z ...

Specification of local axes at each atom
Mallinson, P. R. and Brown, I. D., International Tables for Crystallography (2006). Vol. G, Section 3.5.3.1, pp. 141-142 [ doi:10.1107/97809553602060000737 ]
Example 3.5.3.1. Definition of the local Cartesian axis system for the atoms in a proton sponge complex. References Mallinson, P. R., Wozniak, K., Smith, G. T. & McCormack, K. L. (1997). A charge ...
     [more results from section 3.5.3 in volume G]

Development of the dictionary and supporting software
Mallinson, P. R. and Brown, I. D., International Tables for Crystallography (2006). Vol. G, Section 3.5.4, pp. 143-143 [ doi:10.1107/97809553602060000737 ]
tool box for manipulating CIFs. J. Appl. Cryst. 29, 598–603. Google Scholar Koritsanszky, T., Richter, T., Macchi, P., Volkov, A., Gatti, C., Howard, S., Mallinson, P. R., Farrugia, L., Su, Z. & Hansen, N. K ...

Dictionary design considerations
Mallinson, P. R. and Brown, I. D., International Tables for Crystallography (2006). Vol. G, Section 3.5.2, pp. 141-141 [ doi:10.1107/97809553602060000737 ]


Introduction
Mallinson, P. R. and Brown, I. D., International Tables for Crystallography (2006). Vol. G, Section 3.5.1, pp. 141-141 [ doi:10.1107/97809553602060000737 ]


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