Cover Image, Volume 38, Issue 22.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. i, doi. 10.1002/jcc.24873
- Publication type:
- Article
Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 22
Results: 9
1
2
Simple computing of the viscosity of water-dioxane mixtures, according to a fluctuating SPC/E-I<sub>h</sub> interstitial model.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1952, doi. 10.1002/jcc.24841
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- Publication type:
- Article
3
Computational insights into the S<sub>3</sub> transfer reaction: A special case of double group transfer reaction featuring bicyclically delocalized aromatic transition state geometries.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1966, doi. 10.1002/jcc.24844
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- Publication type:
- Article
4
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1891, doi. 10.1002/jcc.24572
- Publication type:
- Article
5
Importance of explicit smeared lone-pairs in anisotropic polarizable molecular mechanics. Torture track angular tests for exchange-repulsion and charge transfer contributions.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1897, doi. 10.1002/jcc.24830
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- Publication type:
- Article
6
Treating ion distribution with Gaussian-based smooth dielectric function in DelPhi.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1974, doi. 10.1002/jcc.24831
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- Publication type:
- Article
7
Structural dissimilarity sampling with dynamically self-guiding selection.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1921, doi. 10.1002/jcc.24837
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- Publication type:
- Article
8
Revisiting the thermochemistry of chlorine fluorides.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1930, doi. 10.1002/jcc.24838
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- Publication type:
- Article
9
Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 22, p. 1941, doi. 10.1002/jcc.24839
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- Publication type:
- Article