Open Chemistry, JupyterLab, REST, and quantum chemistry.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 1, p. 1, doi. 10.1002/qua.26472
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 1
Results: 7
1
2
Turning chemistry into information for heterogeneous catalysis.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 1, p. 1, doi. 10.1002/qua.26382
- By:
- Publication type:
- Article
3
Assessing conformer energies using electronic structure and machine learning methods.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 1, p. 1, doi. 10.1002/qua.26381
- By:
- Publication type:
- Article
4
Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemy.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 1, p. 1, doi. 10.1002/qua.26380
- By:
- Publication type:
- Article
5
Fitting elephants in the density functionals zoo: Statistical criteria for the evaluation of density functional theory methods as a suitable replacement for counting parameters.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 1, p. 1, doi. 10.1002/qua.26379
- By:
- Publication type:
- Article
6
Cover Image, Volume 121, Issue 1.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 1, p. 1, doi. 10.1002/qua.26280
- Publication type:
- Article
7
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 1, p. 1, doi. 10.1002/qua.26279
- Publication type:
- Article