Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 9

Results: 8

Substantial second‐order nonlinear optical properties of novel hexamolybdate‐julolidine hybrids: A density functional theory (DFT) study.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.27086

By:

AlSilaykhee, Ashraf H. S.;
Al‐Yasari, Ahmed;
Alesary, Hasan F.

Publication type:

Article

Revisiting the generalized pseudospectral method: Energy degeneracies, radial expectation values, and Schwarz‐like inequalities of the shell‐confined atom.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.27085

By:

Zhou, Zhi Ling;
Zheng, Ruo Yu;
Jiao, Li Guang;
Liu, Aihua;
Montgomery, Henry E.;
Ho, Yew Kam

Publication type:

Article

Symmetry dependent optical properties of zeolites: A quantum mechanical study.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.27084

By:

Muhammed, Mufasila Mumthaz;
Sibai, Fadi;
Chamkha, Ali J.;
Mokkath, Junais Habeeb

Publication type:

Article

Is there a better way of representing stationary wave functions than basis expansion?

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.27083

By:

Tao, Yu;
Li, Yunzhi;
Li, Chen

Publication type:

Article

On the relationship between the strength of bonding between topological atoms and the exchange‐correlation energy.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.27082

By:

Anisimov, Aleksei A.;
Ananyev, Ivan V.

Publication type:

Article

Structural characteristics of metal (Ni, Cu) doped cobalt phosphide catalysts and mechanism of catalytic hydrogen evolution of NH<sub>3</sub>BH<sub>3</sub>.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.27081

By:

Xie, Rui‐fang;
Tang, Xiao‐mei;
Shui, Hui‐ling;
Qin, Hai‐chuan;
Yang, Jia‐Jia;
Li, Lai‐cai

Publication type:

Article

Modulating spintronic properties of transition metals doped GaN nanotubes with high Curie temperature.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.27079

By:

Shabani, Mostafa;
Movlarooy, Tayebeh;
Hessami Pilehrood, Saeid

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2023, v. 123, n. 9, p. 1, doi. 10.1002/qua.26934
Publication type:: Article