Automatized Parameterization of DFTB using Particle Swarm...

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Automatized Parameterization of DFTB using Particle Swarm Optimization

Chou, Chien-Pin, Nishimura, Yoshifumi, Fan, Chin-Chai, Mazur, Grzegorz, Irle, Stephan, Witek, Henryk A.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00673
Date:
November, 2015
File:
PDF, 1.79 MB
english, 2015
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