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Items: 2

1.

LICHEM 1.1: Recent Improvements and New Capabilities.

Gökcan H, Vázquez-Montelongo EA, Cisneros GA.

J Chem Theory Comput. 2019 May 14;15(5):3056-3065. doi: 10.1021/acs.jctc.9b00028. Epub 2019 Apr 2.

PMID:
30908049
2.

Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF₄].

Vázquez-Montelongo EA, Vázquez-Cervantes JE, Cisneros GA.

Molecules. 2018 Oct 31;23(11). pii: E2830. doi: 10.3390/molecules23112830.

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