A Fully Coupled Quantum Treatment of Nanoconfined Systems:...

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Journal of Chemical Theory and Computation 2018 / 11

A Fully Coupled Quantum Treatment of Nanoconfined Systems: a Water Molecule inside a Fullerene C60.

Valdés, Alvaro, Carrillo-Bohorquez, Orlando, Prosmiti, Rita
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00801
Date:
November, 2018
File:
PDF, 19.73 MB
english, 2018
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