Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 14
Results: 9
Cover Image, Volume 36, Issue 14.
- Published in:
- 2015
- Publication type:
- Other
Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 14, p. 1029, doi. 10.1002/jcc.23878
- By:
- Publication type:
- Article
Robustness in the fitting of molecular mechanics parameters.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 14, p. 1083, doi. 10.1002/jcc.23897
- By:
- Publication type:
- Article
Cover Image, Volume 36, Issue 14.
- Published in:
- 2015
- Publication type:
- Other
A cascaded QSAR model for efficient prediction of overall power conversion efficiency of all-organic dye-sensitized solar cells.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 14, p. 1036, doi. 10.1002/jcc.23886
- By:
- Publication type:
- Article
LS-VISM: A software package for analysis of biomolecular solvation.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 14, p. 1047, doi. 10.1002/jcc.23890
- By:
- Publication type:
- Article
Gradient gravitational search: An efficient metaheuristic algorithm for global optimization.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 14, p. 1060, doi. 10.1002/jcc.23891
- By:
- Publication type:
- Article
Protein alignment: Exact versus approximate. An illustration.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 14, p. 1069, doi. 10.1002/jcc.23892
- By:
- Publication type:
- Article
Revisiting the extrapolation of correlation energies to complete basis set limit.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 14, p. 1075, doi. 10.1002/jcc.23896
- By:
- Publication type:
- Article