Cover Image, Volume 36, Issue 2.
- Published in:
- 2015
- Publication type:
- Other
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 2
Results: 10
1
2
Hybrid MPI/OpenMP parallelization of the effective fragment potential method in the libefp software library.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 129, doi. 10.1002/jcc.23772
- By:
- Publication type:
- Article
3
Protein folding pathways extracted by OFLOOD: Outlier FLOODing method.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 97, doi. 10.1002/jcc.23773
- By:
- Publication type:
- Article
4
Paramfit: Automated optimization of force field parameters for molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 79, doi. 10.1002/jcc.23775
- By:
- Publication type:
- Article
5
Expected degree for RNA secondary structure networks.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 103, doi. 10.1002/jcc.23776
- By:
- Publication type:
- Article
6
How does hybrid bridging core modification enhance the nonlinear optical properties in donor-π-acceptor configuration? A case study of dinitrophenol derivatives.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 118, doi. 10.1002/jcc.23777
- By:
- Publication type:
- Article
7
Cover Image, Volume 36, Issue 2.
- Published in:
- 2015
- Publication type:
- Other
8
Computing p K<sub>A</sub> values of hexa-aqua transition metal complexes.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 69, doi. 10.1002/jcc.23764
- By:
- Publication type:
- Article
9
Corrigendum: A spherical harmonic transform spectral analysis of a localized surface plasmon on a gold nano shell.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 136, doi. 10.1002/jcc.23784
- Publication type:
- Article
10
A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 2, p. 88, doi. 10.1002/jcc.23787
- By:
- Publication type:
- Article