Works matching IS 00207608 AND DT 2022 AND VI 122 AND IP 11

Results: 9

Pressure‐induced enhancement of mechanical performance in ZrC system.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26897

By:

Yong, Yik Seng;
Chang, Yee Hui Robin;
Low, Lay Chen;
Lim, Thong Leng;
Yoon, Tiem Leong

Publication type:

Article

Temperature‐dependent electronic properties for 4f states in cerium mononitride.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26896

By:

Li, Ru‐song;
Zhou, Xiao‐hua;
Xie, Zheng;
Kong, Ling‐yun;
Wang, Deng‐wu;
Wang, Yang

Publication type:

Article

First principles study of layered silicon carbide as anode in lithium ion battery.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26895

By:

Fatima, Afrinish;
Majid, Abdul;
Haider, Sajjad;
Akhtar, Muhammad Saeed;
Alkhedher, Mohammad

Publication type:

Article

Comment on Mostar indices of SiO2 nanostructures and melem chain nanostructures.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26894

By:

Mushtaq, Shagufa;
Arockiaraj, Micheal;
Klavžar, Sandi;
Fiona, J. Celin;
Balasubramanian, Krishnan

Publication type:

Article

A bonding evolution theory study of the reaction between methylidyne radical, CH(X2Π), and cyclopentadiene, C5H6.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26892

By:

Andrés, Juan;
Safont, Vicent S.;
Oliva, Mónica;
Caster, Kacee L.;
Goulay, Fabien

Publication type:

Article

Working equation of linear response time‐dependent density functional theory: First‐order polarization propagator approximation.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26891

By:

Pedersen, Jacob;
Mikkelsen, Kurt V.

Publication type:

Article

Structure‐dependence in initial decomposition of trans‐1,2‐dimethylcyclohexyl isomers: Kinetic exploration and conformational analysis.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26890

By:

Bian, Huiting;
Wang, Yongjin;
Li, Jing;
Zhao, Jun

Publication type:

Article

The effect of both Pt decoration and the defects on the adsorption of graphene for SO2.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26888

By:

Qu, Yongfeng;
Ding, Jijun;
Chen, Haixia;
Hu, Wenbo;
Fan, Huiqing

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26711
Publication type:: Article

Works matching IS 00207608 AND DT 2022 AND VI 122 AND IP 11

Pressure‐induced enhancement of mechanical performance in ZrC system.

Temperature‐dependent electronic properties for 4f states in cerium mononitride.

First principles study of layered silicon carbide as anode in lithium ion battery.

Comment on Mostar indices of SiO<sub>2</sub> nanostructures and melem chain nanostructures.

A bonding evolution theory study of the reaction between methylidyne radical, CH(X<sup>2</sup>Π), and cyclopentadiene, C<sub>5</sub>H<sub>6</sub>.

Working equation of linear response time‐dependent density functional theory: First‐order polarization propagator approximation.

Structure‐dependence in initial decomposition of trans‐1,2‐dimethylcyclohexyl isomers: Kinetic exploration and conformational analysis.

The effect of both Pt decoration and the defects on the adsorption of graphene for SO<sub>2</sub>.

Issue Information.