Volume 1175

Computational and Theoretical Chemistry

Volume 1175

1

Hydrolytic deamination mechanisms of guanosine monophosphate: A computational study

Almatarneh, Mansour H., Omeir, Reema A., AL Demour, Saddam, Elayan, Ismael A., Islam, Shahidul, Poirier, Raymond A.

Journal:

Computational and Theoretical Chemistry

Year:

2020

Language:

english

File:

PDF, 2.02 MB

english, 2020

2

Copper(I) catalyzed CO2 transformation: A density functional theory investigation

Qi, Mengyu, Tang, Chuankai, Zhou, Zhong-jun, Ma, Fang

Journal:

Computational and Theoretical Chemistry

Year:

2020

File:

PDF, 1.43 MB

2020

3

Editorial Board

Journal:

Computational and Theoretical Chemistry

Year:

2020

File:

PDF, 32 KB

2020

4

Spin-tensor multireference first-order polarization propagator approximation in comparison with several multireference methods on the example of low-lying electronic states of the CH+ ion

Seleznev, Alexey O., Khrustov, Vladimir F.

Journal:

Computational and Theoretical Chemistry

Year:

2020

File:

PDF, 1.52 MB

2020

5

Multiscale study on ammonia adsorption by Li-Doped COF-10

Zhao, Yingguo, Zhang, Shaoyong, Wu, Laxia, Guo, Chang, Song, Xiaowei

Journal:

Computational and Theoretical Chemistry

Year:

2020

File:

PDF, 829 KB

2020

6

Investigating the chemisorption of CO and CO2 on Al- and Cu-doped ZnO nanowires by density-functional calculations

Maarouf, Monzer, Al-Sunaidi, Abdullah

Journal:

Computational and Theoretical Chemistry

Year:

2020

File:

PDF, 4.97 MB

2020