Cover Image, Volume 38, Issue 25.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. i, doi. 10.1002/jcc.24909
- Publication type:
- Article
Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 25
Results: 9
1
2
Charge Transfer Excitations in TDDFT: A Ghost-Hunter Index.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2151, doi. 10.1002/jcc.24862
- By:
- Publication type:
- Article
3
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2135, doi. 10.1002/jcc.24644
- Publication type:
- Article
4
An Interaction Potential to Study the Thermal Structure Evolution of a Thermoelectric Material: β-Cu<sub>2</sub>Se.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2161, doi. 10.1002/jcc.24865
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- Publication type:
- Article
5
Cluster Size Convergence for the Energetics of the Oxygen Evolving Complex in PSII.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2157, doi. 10.1002/jcc.24863
- By:
- Publication type:
- Article
6
GENESIS 1.1: A Hybrid-Parallel Molecular Dynamics Simulator with Enhanced Sampling Algorithms on Multiple Computational Platforms.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2193, doi. 10.1002/jcc.24874
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- Publication type:
- Article
7
O—O Bond Homolysis in Hydrogen Peroxide.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2186, doi. 10.1002/jcc.24870
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- Publication type:
- Article
8
Benchmarking Density Functional Tight Binding Models for Barrier Heights and Reaction Energetics of Organic Molecules.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2171, doi. 10.1002/jcc.24866
- By:
- Publication type:
- Article
9
Interdependence of ICD Rates in Paired Quantum Dots on Geometry.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2141, doi. 10.1002/jcc.24843
- By:
- Publication type:
- Article