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

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

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1021, 1 October 2013, Pages 101-108

Alexey V. Verkhovtsev, Gennady B. Sushko, Alexander V. Yakubovich, Andrey V. Solov'yov,