Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 16

Results: 9

Investigating the effect of halogens on the electronic and optical properties of lead‐free double halide perovskites based on CuBi.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27139

By:

Khademi, Tahmineh;
Movlarooy, Tayebeh

Publication type:

Article

Oriented electric field stabilized beryllium dimer.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27138

By:

Guha, Ankur K.

Publication type:

Article

Theoretical study on initial decomposition paths of several [5,6,5]‐tricyclic, [5,7,5]‐tricyclic and [5,8,5]‐tricyclic heterocyclic energetic materials based on fused ring.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27137

By:

Shang, Fangjian;
Wang, Ting;
Xue, Hua;
Ma, Yinhua

Publication type:

Article

Linear versus cubic regression models for analyzing generalized reverse degree based topological indices of certain latest corona treatment drug molecules.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27136

By:

Arockiaraj, Micheal;
Greeni, A. Berin;
Kalaam, AR. Abul

Publication type:

Article

Theoretical study on the electronic properties and quantum capacitance of Zr2CO2 MXene with atomic swap.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27135

By:

Yin, She‐Hui;
Cui, Xing‐Hao;
Li, Xiao‐Hong;
Wang, Shi‐Jie;
Zhang, Rui‐Zhou;
Cui, Hong‐Ling;
Yan, Hai‐Tao

Publication type:

Article

Mechanism of ring‐opening polymerization of l‐lactide by lanthanide aryloxide: A theoretical study on the effect of the aryloxide ligands on the process.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27134

By:

Meelua, Wijitra;
Wanjai, Tanchanok;
Chokbunpiam, Tatiya;
Jitonnom, Jitrayut

Publication type:

Article

The optoelectronic application of CsSnI3 upon substitution with Pb: A DFT approach.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27133

By:

Mubarak, A. A.;
Tariq, Saad

Publication type:

Article

Reaction mechanism between Gen (n = 2–5) clusters and single water molecule based on density functional theory.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.27132

By:

Tang, Leilei;
Shi, Shunping;
Song, Yong;
Duan, Zhanjiang;
Jiang, Jing;
Diao, Kai;
Hu, Jiabao;
Chen, Deliang

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2023, v. 123, n. 16, p. 1, doi. 10.1002/qua.26941
Publication type:: Article

Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 16

Investigating the effect of halogens on the electronic and optical properties of lead‐free double halide perovskites based on CuBi.

Oriented electric field stabilized beryllium dimer.

Theoretical study on initial decomposition paths of several [5,6,5]‐tricyclic, [5,7,5]‐tricyclic and [5,8,5]‐tricyclic heterocyclic energetic materials based on fused ring.

Linear versus cubic regression models for analyzing generalized reverse degree based topological indices of certain latest corona treatment drug molecules.

Theoretical study on the electronic properties and quantum capacitance of Zr<sub>2</sub>CO<sub>2</sub> MXene with atomic swap.

Mechanism of ring‐opening polymerization of l‐lactide by lanthanide aryloxide: A theoretical study on the effect of the aryloxide ligands on the process.

The optoelectronic application of CsSnI<sub>3</sub> upon substitution with Pb: A DFT approach.

Reaction mechanism between Ge<sub>n</sub> (n = 2–5) clusters and single water molecule based on density functional theory.

Issue Information.