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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, p. 143 [ doi:10.1107/97809553602060000737 ]
... programming CIF applications (Hall & Bernstein, 1996). References Hall, S. R. & Bernstein, H. J. (1996). CIF applications. V. CIFtbx2: extended ... Appl. Cryst. 29, 598-603. Koritsanszky, T., Richter, T., Macchi, P., Volkov, A., Gatti, C., Howard, S., Mallinson, P. R., Farrugia, L., Su, Z. & Hansen, N. K. ( ...

Atom-centred multipole expansion functions
Mallinson, P. R. and Brown, I. D.  International Tables for Crystallography (2006). Vol. G, Section 3.5.3.2, pp. 142-143 [ doi:10.1107/97809553602060000737 ]
... contains all the parameters of the Hansen & Coppens (1978) functionwhere r is a position vector with respect to the atomic nucleus ... l]), are the spherical harmonic coefficients (_atom_rho_multiple_coeff_P[lm]) and is the spherical harmonic of order at the ... Nucl. Data Tables, 14, 177-478. Hansen, N. K. & Coppens, P. (1978). Testing aspherical atom refinements on small-molecule ...
     [more results from section 3.5.3 in volume G]

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 ]
... real space at the point defined by the position vector r.] The distribution of electron density in a molecule or crystal ... dimethylamino)naphthalene with 1,2-dichloromaleic acid (a `proton sponge') (Mallinson et al., 1997). Example 3.5.3.1. Definition of the local ... contains all the parameters of the Hansen & Coppens (1978) functionwhere r is a position vector with respect to the atomic ...

Dictionary design considerations
Mallinson, P. R. and Brown, I. D.  International Tables for Crystallography (2006). Vol. G, Section 3.5.2, p. 141 [ doi:10.1107/97809553602060000737 ]
... Nucl. Data Tables, 14, 177-478. Hansen, N. K. & Coppens, P. (1978). Testing aspherical atom refinements on small-molecule data sets. Acta Cryst. A34, 909-921. Stewart, R. F. (1973). Electron population analysis with generalized X-ray ... International Tables for Crystallography (2006). Vol. G, ch. 3.5, p. 141 International Union of Crystallography 2006 | home | resources | advanced ...

Introduction
Mallinson, P. R. and Brown, I. D.  International Tables for Crystallography (2006). Vol. G, Section 3.5.1, p. 141 [ doi:10.1107/97809553602060000737 ]
... real space at the point defined by the position vector r.] The distribution of electron density in a molecule or crystal ... that has been fitted with an appropriate model. References Bader, R. F. W. (1990). Atoms in molecules: a quantum theory. Oxford University Press. Coppens, P. (1997). X-ray charge densities and chemical bonding. ...

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