An efficient second‐order poisson–boltzmann method.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. 1257, doi. 10.1002/jcc.25783
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2019 AND VI 40 AND IP 12
Results: 8
1
2
Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. 1305, doi. 10.1002/jcc.25787
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- Publication type:
- Article
3
A grid‐based algorithm in conjunction with a gaussian‐based model of atoms for describing molecular geometry.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. 1290, doi. 10.1002/jcc.25786
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- Publication type:
- Article
4
Reduction potential calculations of the Fe–S clusters in Thermus thermophilus respiratory complex I.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. 1248, doi. 10.1002/jcc.25785
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- Publication type:
- Article
5
Efficient singular‐value decomposition of the coupled‐cluster triple excitation amplitudes.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. 1319, doi. 10.1002/jcc.25788
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- Publication type:
- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. 1243, doi. 10.1002/jcc.25478
- Publication type:
- Article
7
Cover Image, Volume 40, Issue 12.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. C1, doi. 10.1002/jcc.25391
- Publication type:
- Article
8
BAR‐based optimum adaptive steered MD for configurational sampling.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 12, p. 1270, doi. 10.1002/jcc.25784
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- Publication type:
- Article