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partial sigma charge

Go to external page http://semanticscience.org/resource/CHEMINF_001545

This is just here as a test because I lose it

术语信息

description

Descriptor that calculates sigma partial charges in sigma-bonded systems (PEOE) of an heavy atom based on Gasteiger Marsili.

doi

http://dx.doi.org/10.1016/0040-4020(80)80168-2

short name

partialSigmaCharge

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