Designing and Screening of Multi-Amino-Functionalized Ionic Liquid Solution for CO2 Capture by Quantum Chemical Simulation

2017 ◽  
Vol 6 (1) ◽  
pp. 1182-1191 ◽  
Author(s):  
Guohua Jing ◽  
Yuhao Qian ◽  
Xiaobin Zhou ◽  
Bihong Lv ◽  
Zuoming Zhou
Keyword(s):  
Ionic Liquid ◽  
Co2 Capture ◽  
Quantum Chemical ◽  
Liquid Solution ◽  
Quantum Chemical Simulation ◽  
Functionalized Ionic Liquid ◽  
Chemical Simulation ◽  
Ionic Liquid Solution

Kinetic resolution of racemic 6-substituted 1,2,3,4-tetrahydroquinaldines with chiral acyl chlorides. Experiment and quantum chemical simulation

2021 ◽  
Vol 70 (5) ◽  
pp. 890-899
Author(s):  
E. N. Chulakov ◽  
M. A. Korolyova ◽  
L. Sh. Sadretdinova ◽  
A. A. Tumashov ◽  
M. I. Kodess ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Kinetic Resolution ◽  
Quantum Chemical Simulation ◽  
Acyl Chlorides ◽  
Chemical Simulation

Quantum-chemical simulation of unit process for the oxidation reactions of ethylene and its derivatives invoving 1O2 (1Δg)

2016 ◽  
Vol 61 (10) ◽  
pp. 1257-1261 ◽  
Author(s):  
N. N. Breslavskaya ◽  
S. P. Dolin ◽  
A. A. Markov ◽  
T. Yu. Mikhailova ◽  
N. I. Moiseeva ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Simulation ◽  
Oxidation Reactions ◽  
Unit Process ◽  
Chemical Simulation
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