Benchmarking of classical force fields by ab initio...

Computational and Theoretical Chemistry 2013 / 10 Vol. 1021

Benchmarking of classical force fields by ab initio calculations of atomic clusters: Ti and Ni–Ti case

Verkhovtsev, Alexey V., Sushko, Gennady B., Yakubovich, Alexander V., Solov’yov, Andrey V.
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Volume:
1021
Language:
english
Journal:
Computational and Theoretical Chemistry
DOI:
10.1016/j.comptc.2013.06.034
Date:
October, 2013
File:
PDF, 1.64 MB
english, 2013
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