Cover Image, Volume 36, Issue 15.
- Published in:
- 2015
- Publication type:
- Other
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 15
Results: 8
1
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An anisotropic coarse-grained model based on Gay- Berne and electric multipole potentials and its application to simulate a DMPC bilayer in an implicit solvent model.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 15, p. 1103, doi. 10.1002/jcc.23895
- By:
- Publication type:
- Article
3
Solvents effects on the mechanism of cellulose hydrolysis: A QM/MM study.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 15, p. 1114, doi. 10.1002/jcc.23898
- By:
- Publication type:
- Article
4
Using bonding to guide transition state optimization.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 15, p. 1157, doi. 10.1002/jcc.23910
- By:
- Publication type:
- Article
5
Bridging organometallics and quantum chemical topology: Understanding electronic relocalisation during palladium-catalyzed reductive elimination.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 15, p. 1167, doi. 10.1002/jcc.23911
- By:
- Publication type:
- Article
6
Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle-PMMA from first-principles.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 15, p. 1176, doi. 10.1002/jcc.23912
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- Publication type:
- Article
7
Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 15, p. 1124, doi. 10.1002/jcc.23903
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- Publication type:
- Article
8
DOCK 6: Impact of new features and current docking performance.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 15, p. 1132, doi. 10.1002/jcc.23905
- By:
- Publication type:
- Article