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
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
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
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
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
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
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