Accuracy of Effective Core Potentials and Basis Sets for...

Accuracy of Effective Core Potentials and Basis Sets for Density Functional Calculations, Including Relativistic Effects, As Illustrated by Calculations on Arsenic Compounds

Xu, Xuefei, Truhlar, Donald G.
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Volume:
7
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct200234r
Date:
September, 2011
File:
PDF, 1.08 MB
english, 2011
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