Transport of hydrated nitrate and nitrite ions through graphene nanopores in aqueous medium.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. 1850, doi. 10.1002/jcc.26356
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 20
Results: 8
1
2
All‐electron scalar relativistic basis sets for the elements Rb–Xe.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. 1842, doi. 10.1002/jcc.26355
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- Publication type:
- Article
3
PyCDFT: A Python package for constrained density functional theory.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. 1859, doi. 10.1002/jcc.26354
- By:
- Publication type:
- Article
4
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. 1835, doi. 10.1002/jcc.26224
- By:
- Publication type:
- Article
5
HCVpred: A web server for predicting the bioactivity of hepatitis C virus NS5B inhibitors.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. 1820, doi. 10.1002/jcc.26223
- By:
- Publication type:
- Article
6
Alchemical free energy calculations via metadynamics: Application to the theophylline‐RNA aptamer complex.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. 1804, doi. 10.1002/jcc.26221
- By:
- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. 1799, doi. 10.1002/jcc.25952
- Publication type:
- Article
8
Cover Image, Volume 41, Issue 20.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 20, p. C1, doi. 10.1002/jcc.25951
- Publication type:
- Article