Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 7

Results: 11

Fano resonances and slow light in a nanocavity assisted by metallic nanoparticles‐quantum dot system.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27071

By:

Chen, Chen;
Wang, Yaxue;
Wang, Wenjuan;
Wang, Shengjia;
Xiahou, Kuan;
Yu, Chunchao;
Xiao, Xun;
Chen, Fang;
Zhang, Huafeng;
Sun, Lihui

Publication type:

Article

Transition metals doped (3,3) armchair boron nitride nanosheet as dilute magnetic semiconductors materials for the spintronic application.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27070

By:

Malek, Akram;
Movlarooy, Tayebeh;
Hessami Pilehrood, Saeid

Publication type:

Article

Investigation of parameters affecting the high harmonic generation from monolayer WS2.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27068

By:

Sadeghifaraz, Amin;
Irani, Elnaz;
Monfared, Mohammad

Publication type:

Article

Behavior of HF and (HF)2 inside a fullerene cage: An in silico study using different density functionals.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27067

By:

Poddar, Arpita;
Ramachandran, C. N.;
Chattaraj, Pratim Kumar

Publication type:

Article

A first principles study of nonlinear optical properties of a quinoline derivative.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27066

By:

Medeiros, Renato;
Valverde, Clodoaldo;
Faizi, Md. Serajul Haque;
Jamal, Asif;
Osório, Francisco A. P.

Publication type:

Article

Effect of bridged spacers and auxiliary acceptors on Dye Sensitized Solar Cell sensitizers: A density functional theory‐based investigation.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27065

By:

Shukla, Vandana Kumari;
Sharma, Suryapratap J.;
Sekar, Nagaiyan

Publication type:

Article

Structure–aromaticity–reactivity relationship of one‐ and two‐dimensional polyaromatic hydrocarbons and polyborazines.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27064

By:

Liu, Ziyi;
Zhou, Qiang;
Zhu, Lihan;
Wang, Dongqi

Publication type:

Article

Benchmarking quantum chemistry compound methods for the temperature‐dependent thermochemical data of SixHy and SixFy series.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27063

By:

Guo, Junjiang;
Tang, Shiyun;
Chen, Lijun;
Wei, Deju;
Tang, Anjiang

Publication type:

Article

Capturing experimental properties in computationally efficient faceted titania nanoparticle models.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27062

By:

Repa, Gil M.;
Fredin, Lisa A.

Publication type:

Article

Structural stability, elasticity and minimum thermal conductivity of M‐doped Mg17Al12 (M = Ga, In, Ge, Sn, Pb) compounds: A first‐principles predictions.

Published in:

International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.27061

By:

Sun, Yuan;
Yang, Ancang;
Duan, Yonghua;
Qi, Huarong;
Peng, Mingjun;
Shen, Li

Publication type:

Article

Issue Information.

Published in:: International Journal of Quantum Chemistry, 2023, v. 123, n. 7, p. 1, doi. 10.1002/qua.26932
Publication type:: Article

Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 7

Fano resonances and slow light in a nanocavity assisted by metallic nanoparticles‐quantum dot system.

Transition metals doped (3,3) armchair boron nitride nanosheet as dilute magnetic semiconductors materials for the spintronic application.

Investigation of parameters affecting the high harmonic generation from monolayer WS<sub>2</sub>.

Behavior of HF and (HF)<sub>2</sub> inside a fullerene cage: An in silico study using different density functionals.

A first principles study of nonlinear optical properties of a quinoline derivative.

Effect of bridged spacers and auxiliary acceptors on Dye Sensitized Solar Cell sensitizers: A density functional theory‐based investigation.

Structure–aromaticity–reactivity relationship of one‐ and two‐dimensional polyaromatic hydrocarbons and polyborazines.

Benchmarking quantum chemistry compound methods for the temperature‐dependent thermochemical data of Si<sub>x</sub>H<sub>y</sub> and Si<sub>x</sub>F<sub>y</sub> series.

Capturing experimental properties in computationally efficient faceted titania nanoparticle models.

Structural stability, elasticity and minimum thermal conductivity of M‐doped Mg<sub>17</sub>Al<sub>12</sub> (M = Ga, In, Ge, Sn, Pb) compounds: A first‐principles predictions.

Issue Information.