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Computer program for radial distribution calculation from known bonding topologies
Author(s) -
D'Antonio P.,
Konnert J. H.
Publication year - 1980
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889880012551
Subject(s) - network topology , radial distribution function , amorphous solid , neutron diffraction , topology (electrical circuits) , materials science , distribution (mathematics) , diffraction , function (biology) , computer science , crystallography , physics , chemistry , optics , molecular dynamics , mathematics , computational chemistry , combinatorics , mathematical analysis , evolutionary biology , biology , operating system
A RA dial D istribution MO deling R outine ( RADMOR ) is available which calculates directly the radial distribution function that would be obtained from electron, X‐ray and neutron diffraction for spherical regions of known bonding topology. Crystalline as well as model fragment topologies can be evaluated in modeling the atomic arrangement in amorphous materials.