Topological analysis of experimental electron densities
作者： Mohamed Souhassou , Robert H. Blessing
DOI: 10.1107/S0021889898011923
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摘要: Practical computing algorithms are described for analysing the topology of experimental electron density distributions represented as either three-dimensional grid densities or multipolar pseudoatom superpositions. The implemented in program NEWPROP, results from which illustrated with applications to two N-acetyl, C-methylamide blocked amino acid crystal structures.
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