Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 31

Results: 8

The high electron mobility for spin‐down channel of two‐dimensional spin‐polarized half‐metallic ferromagnetic EuSi<sub>2</sub>N<sub>4</sub> monolayer.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2678, doi. 10.1002/jcc.27474

By:

Zhang, Bo;
Wang, Huai‐Qian;
Li, Hui‐Fang;
Zheng, Hao;
Zhang, Yong‐Hang;
Mei, Xun‐Jie;
Zhang, Jia‐Ming;
Jiang, Kai‐Le;
Jiang, Qing‐Wei

Publication type:

Article

Dr.Emb Appyter: A web platform for drug discovery using embedding vectors.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2659, doi. 10.1002/jcc.27469

By:

Kim, Songhyeon;
Bong, Hyunsu;
Jeon, Minji

Publication type:

Article

Assessment of the applicability of DFT methods to [Cp*Rh]‐catalyzed hydrogen evolution processes.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2624, doi. 10.1002/jcc.27468

By:

Chamkin, Aleksandr A.;
Chamkina, Elena S.

Publication type:

Article

Unraveling the structure–property relationship of novel thiophene and furan‐fused cyclopentadienyl chromophores for nonlinear optical applications.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2612, doi. 10.1002/jcc.27467

By:

Sun, Hejing

Publication type:

Article

Theoretical study on the carbon nanomaterial‐supported Pt complex electrocatalysts for efficient and selective chlorine evolution reaction.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2602, doi. 10.1002/jcc.27466

By:

Hossen, Jewel;
Nakatani, Naoki

Publication type:

Article

Fault‐tolerant quantum chemical calculations with improved machine‐learning models.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2640, doi. 10.1002/jcc.27459

By:

Yuan, Kai;
Zhou, Shuai;
Li, Ning;
Li, Tianyan;
Ding, Bowen;
Guo, Danhuai;
Ma, Yingjin

Publication type:

Article

In silico study suggests potential drugs that target CD151 to treat breast cancer and glioblastoma.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2666, doi. 10.1002/jcc.27439

By:

Ramírez‐Salinas, Gema;
Rosales‐Hernandéz, Martha Cecilia;
Correa‐Basurto, José;
Guerrero‐González, Issac;
Hernández‐Castro, Selene Saraí;
Martinez‐Archundia, Marlet

Publication type:

Article

Issue Information.

Published in:: Journal of Computational Chemistry, 2024, v. 45, n. 31, p. 2597, doi. 10.1002/jcc.27164
Publication type:: Article