How reliable is the ReaxFF potential for describing the...

International Journal of Modeling Simulation and Scientific Computing 2014 / 10 Vol. 5; Iss. supp01

How reliable is the ReaxFF potential for describing the structure of alkanethiols on gold? A molecular dynamics study

Vasumathi, Velachi, Fajin, José Luis Cagide, Cordeiro, Maria Natália Dias Soeiro
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Volume:
5
Language:
english
Journal:
International Journal of Modeling, Simulation, and Scientific Computing
DOI:
10.1142/s1793962314410116
Date:
October, 2014
File:
PDF, 2.07 MB
english, 2014
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