Accuracy of Embedded Fragment Calculation for Evaluating...

Journal of Chemical Theory and Computation 2015 / 02 Vol. 11; Iss. 2

Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e-Reduced Lindqvist Polyoxometalates

Suaud, Nicolas, López, Xavier, Ben Amor, Nadia, Bandeira, Nuno A. G., de Graaf, Coen, Poblet, Josep M.
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Volume:
11
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct5010005
Date:
February, 2015
File:
PDF, 1.16 MB
english, 2015
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