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Heat capacities from Born–Oppenheimer molecular dynamics simulations:
Vásquez-Pérez, José Manuel, Calaminici, Patrizia, Köster, Andreas M.Volume:
1021
Language:
english
Journal:
Computational and Theoretical Chemistry
DOI:
10.1016/j.comptc.2013.07.037
Date:
October, 2013
File:
PDF, 746 KB
english, 2013