Estimating molecular electronic chemical potential and hardness from fragments' addition schemes

Authors :: Sengupta, Santanu
Toro-Labbe, Alejandro
Source :: Journal of Physical Chemistry A. May 2, 2002, Vol. 106 Issue 17, p4443, 4 p.
Publication Year :: 2002

Subjects :: Chemistry, Physical and theoretical -- Research
Chemical reactions -- Analysis
Electrons -- Physiological aspects
Density functionals -- Usage
Chemicals, plastics and rubber industries

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