Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 20

Results: 11

A simultaneous Eigen valued expression to model the three coupled electronic states with triply and doubly degenerate seams together I.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27199

By:

Xavier, F. George D

Publication type:

Article

A comparative on the thermal decomposition and fire‐extinguishing performance of C5F8 and C5F7Cl.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27198

By:

Chang, Zhenxiang;
Yu, Rourou;
Li, Shukai;
Guo, Yueying;
Tan, Zhaoyang;
Zhang, Xiao;
Liu, Jiexiang

Publication type:

Article

Electronic structure and magnetic properties of noble metal (Rh, Ru, Pd, Ag) adsorbed vacancy‐defective arsenene: A first‐principles study.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27197

By:

He, Jianlin;
Liu, Guili;
Zhang, Chunwei;
Zhang, Guoying

Publication type:

Article

Highly efficient H2S capture using pentagonal B2C monolayer: A periodic DFT study.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27196

By:

Rahimi, Rezvan;
Solimannejad, Mohammad

Publication type:

Article

Thermodynamic stability of cytosine tetramers mediated by partially reduced silver trimers: QM/MM free energy analysis.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27195

By:

Ramasanoff, Ruslan R.

Publication type:

Article

Regioselectivity of CH activation in cytochrome P450‐catalyzed intramolecular cyclization of alkylamine compounds.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27193

By:

Qin, Dan;
Dong, Lu;
Jiang, Xue;
Yang, Lijun

Publication type:

Article

Comparative study of domination parameters with the π‐electronic energy of benzenoid hydrocarbons.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27192

By:

Khan, Suliman

Publication type:

Article

On computation of degree based entropy measures for terpyridine complex nanosheet.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27190

By:

Renai, P. Noah Antony Daniel;
Roy, S.

Publication type:

Article

Further revealing reaction mechanism on the oxidative behavior of 5‐hydroxymethylfurfural.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27187

By:

Du, Xia;
Yao, Tingyu;
Zhang, Hui;
Shang, Yan;
Jing, Liquan;
Hu, Jinguang

Publication type:

Article

Ab initio prediction of optoelectronic and thermoelectric behavior of Eu‐doped Zn2SnO4 using GGA + U functional: A study for optoelectronic devices.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.27181

By:

Aamer, Muhammad;
Azam, Sikander;
Javed, Muhammad Usman;
Neffati, R.;
Amami, Mongi;
Khan, W.

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2023, v. 123, n. 20, p. 1, doi. 10.1002/qua.26945
Publication type:: Article

Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 20

A simultaneous Eigen valued expression to model the three coupled electronic states with triply and doubly degenerate seams together I.

A comparative on the thermal decomposition and fire‐extinguishing performance of C<sub>5</sub>F<sub>8</sub> and C<sub>5</sub>F<sub>7</sub>Cl.

Electronic structure and magnetic properties of noble metal (Rh, Ru, Pd, Ag) adsorbed vacancy‐defective arsenene: A first‐principles study.

Highly efficient H<sub>2</sub>S capture using pentagonal B<sub>2</sub>C monolayer: A periodic DFT study.

Thermodynamic stability of cytosine tetramers mediated by partially reduced silver trimers: QM/MM free energy analysis.

Regioselectivity of CH activation in cytochrome P450‐catalyzed intramolecular cyclization of alkylamine compounds.

Comparative study of domination parameters with the π‐electronic energy of benzenoid hydrocarbons.

On computation of degree based entropy measures for terpyridine complex nanosheet.

Further revealing reaction mechanism on the oxidative behavior of 5‐hydroxymethylfurfural.

Ab initio prediction of optoelectronic and thermoelectric behavior of Eu‐doped Zn<sub>2</sub>SnO<sub>4</sub> using GGA + U functional: A study for optoelectronic devices.

Issue Information.