A convective replica-exchange method for sampling new energy basins.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 132, doi. 10.1002/jcc.23113
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 2
Results: 10
1
2
GPGPU for orbital function evaluation with a new updating scheme.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 83, doi. 10.1002/jcc.23106
- By:
- Publication type:
- Article
3
Appropriate description of intermolecular interactions in the methane hydrates: An assessment of DFT methods.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 121, doi. 10.1002/jcc.23112
- By:
- Publication type:
- Article
4
Very efficient search for nucleotide alignments.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 77, doi. 10.1002/jcc.23105
- By:
- Publication type:
- Article
5
Inside Cover, Volume 34, Issue 2.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. iii, doi. 10.1002/jcc.23203
- Publication type:
- Article
6
An analytical method for computing atomic contact areas in biomolecules.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 105, doi. 10.1002/jcc.23111
- By:
- Publication type:
- Article
7
Cover Image, Volume 34, Issue 2.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. i, doi. 10.1002/jcc.23202
- Publication type:
- Article
8
A fast parallel clustering algorithm for molecular simulation trajectories.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 95, doi. 10.1002/jcc.23110
- By:
- Publication type:
- Article
9
An assessment of pure, hybrid, meta, and hybrid-meta GGA density functional theory methods for open-shell systems: The case of the nonheme iron enzyme 8R-LOX.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 141, doi. 10.1002/jcc.23114
- By:
- Publication type:
- Article
10
Variationally determined electronic states for the theoretical analysis of intramolecular interaction. II. Qualitative nature of the PO bond in phosphine oxides.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 2, p. 149, doi. 10.1002/jcc.23118
- By:
- Publication type:
- Article