Works matching IS 17590876 AND DT 2019 AND VI 9 AND IP 6

Results: 10

Cover Image, Volume 9, Issue 6.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1451

By:

Duran‐Frigola, Miquel;
Fernández‐Torras, Adrià;
Bertoni, Martino;
Aloy, Patrick

Publication type:

Article

Walter Thiel 1949–2019: An editorial essay.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1447

By:

Schreiner, Peter R.

Publication type:

Article

Surface‐supported cluster catalysis: Ensembles of metastable states run the show.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1420

By:

Zandkarimi, Borna;
Alexandrova, Anastassia N.

Publication type:

Article

The electronic structure underlying electrocatalysis of two‐dimensional materials.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1418

By:

Zhao, Xunhua;
Shi, Jianjian;
Ji, Yujin;
Liu, Yuanyue

Publication type:

Article

Review of two‐dimensional materials for electrochemical CO<sub>2</sub> reduction from a theoretical perspective.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1416

By:

Zhu, Xiaorong;
Li, Yafei

Publication type:

Article

LASP: Fast global potential energy surface exploration.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1415

By:

Huang, Si‐Da;
Shang, Cheng;
Kang, Pei‐Lin;
Zhang, Xiao‐Jie;
Liu, Zhi‐Pan

Publication type:

Article

Stochastic density functional theory.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1412

By:

Fabian, Marcel D.;
Shpiro, Ben;
Rabani, Eran;
Neuhauser, Daniel;
Baer, Roi

Publication type:

Article

Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1411

By:

Zheng, Qijing;
Chu, Weibin;
Zhao, Chuanyu;
Zhang, Lili;
Guo, Hongli;
Wang, Yanan;
Jiang, Xiang;
Zhao, Jin

Publication type:

Article

Formatting biological big data for modern machine learning in drug discovery.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1408

By:

Duran‐Frigola, Miquel;
Fernández‐Torras, Adrià;
Bertoni, Martino;
Aloy, Patrick

Publication type:

Article

Issue information.

Published in:: WIREs: Computational Molecular Science, 2019, v. 9, n. 6, p. N.PAG, doi. 10.1002/wcms.1384
Publication type:: Article