DFT Study and Monte Carlo Simulation on the Aminolysis of XC(O)OCH3 (X = NH2, H, and CF3) with Monomeric and Dimeric Ammonias-Reference-Cited by-同舟云学术

DFT Study and Monte Carlo Simulation on the Aminolysis of XC(O)OCH3 (X = NH2, H, and CF3) with Monomeric and Dimeric Ammonias

Published:2008-09-04 Issue:10 Volume:4 Page:1643-1653
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Xia Xuefei¹,Zhang Chenghua¹,Xue Ying¹,Kim Chan Kyung¹,Yan Guosen¹

Affiliation:

1. College of Chemistry, Key Laboratory of Green Chemistry and Technology in Ministry of Education, Sichuan University, Chengdu 610064, P. R. China, State Key Laboratory of Biotherapy, Sichuan University, Chengdu 610041, P. R. China, and Department of Chemistry, Inha University, Inchon 402-751, Korea

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800099a

Reference53 articles.

1. The mechanism of the aminolysis of methyl formate

2. General Base Catalysis of the Aminolysis of Phenyl Acetate1

3. General Base Catalysis of the Aminolysis of Phenyl Acetate by Primary Alkylamines1

4. Aminolysis of Phenyl Acetates in Aqueous Solutions. VII.1 Observations on the Influence of Salts, Amine Structure, and Base Strength

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