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Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF4]
This article presents the use of AMOEBA-based polarizable ab initio AM/MM simulations to investigate the reaction mechanism of the N-tert-butoxycarbonylation of aniline in a water/1-ethyl, 3-methyl imidazolium/tetrafluoroborate mixture.
Date:
October 31, 2018
Creator:
Vázquez-Montelongo, Erik Antonio; Vázquez-Cervantes, José Enrique & Cisneros, Gerardo Andrés
Object Type:
Article
System:
The UNT Digital Library
UNT Libraries Serials List Data Dictionary FY 2017-2018
This document represents contains information regarding subscriptions purchased by UNT Libraries, along with pricing information for the 2013-14, 2014-15, 2015-16, 2016-17, and 2017-18 fiscal years.
Date:
October 31, 2018
Creator:
University of North Texas. Libraries. Collection Development.
Object Type:
Text
System:
The UNT Digital Library