Mathematical methods for the analysis of charge densities from X-ray diffraction

Guru Row, T. N. (1983) Mathematical methods for the analysis of charge densities from X-ray diffraction Proceedings of the Indian Academy of Sciences - Chemical Sciences, 92 (4-5). pp. 379-384. ISSN 0253-4134

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Official URL: http://www.ias.ac.in/j_archive/chemsci/92/vol92con...

Related URL: http://dx.doi.org/10.1007/BF02839139

Abstract

Accurate x-ray and neutron studies have demonstrated that atomic deformations due to chemical bonding can be reliably mapped. Several new mathematical techniques which have been devised to obtain quantitative information from these maps are discussed along with their relative merits and demerits. Methods of obtaining theoretical densities modified to resemble the experimental framework are explained. The implications of these modified models are outlined.

Item Type:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:Electron Density Modelling; Theoretical Approaches; X-Ray Diffraction; Charge Densities
ID Code:11896
Deposited On:13 Nov 2010 13:39
Last Modified:04 Apr 2012 10:08

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