Grid-Based Algorithm to Search Critical Points, in the Electron Density, Accelerated by Graphics Processing Units.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 31, p. 2272, doi. 10.1002/jcc.23752
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 31
Results: 6
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2
van der Waals Corrected Density Functional Calculations of the Adsorption of Benzene on the Cu (111) Surface.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 31, p. 2263, doi. 10.1002/jcc.23745
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- Publication type:
- Article
3
Efficient Calculation of Relative Binding Free Energies by Umbrella Sampling Perturbation.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 31, p. 2256, doi. 10.1002/jcc.23744
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- Publication type:
- Article
4
GneimoSim: A Modular Internal Coordinates Molecular Dynamics Simulation Package.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 31, p. 2245, doi. 10.1002/jcc.23743
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- Publication type:
- Article
5
Impact of Mn on the Solution Enthalpy of Hydrogen in Austenitic Fe-Mn Alloys: A First-Principles Study.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 31, p. 2239, doi. 10.1002/jcc.23742
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- Publication type:
- Article
6
Melting of Icosahedral Nickel Clusters Under Hydrostatic Pressure.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 31, p. 2231, doi. 10.1002/jcc.23739
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- Publication type:
- Article