Chemical Reactivity and Spectroscopy Explored From QM/MM...

Frontiers in Chemistry 2018 / 3 Vol. 6

Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code

Marcolongo, Juan P., Zeida, Ari, Semelak, Jonathan A., Foglia, Nicolás O., Morzan, Uriel N., Estrin, Dario A., González Lebrero, Mariano C., Scherlis, Damián A.
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Volume:
6
Language:
english
Journal:
Frontiers in Chemistry
DOI:
10.3389/fchem.2018.00070
Date:
March, 2018
File:
PDF, 2.83 MB
english, 2018
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