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

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 (open access)

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