Modeling disordered morphologies in organic semiconductors.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2716, doi. 10.1002/jcc.23445
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 31
Results: 11
1
2
A high-level ab initio study of the N<sub>2</sub> + N<sub>2</sub> reaction channel.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2668, doi. 10.1002/jcc.23415
- By:
- Publication type:
- Article
3
Inside Cover, Volume 34, Issue 31.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. iii, doi. 10.1002/jcc.23480
- Publication type:
- Article
4
Molecular modeling for Cu(II)-aminopolycarboxylate complexes: Structures, conformational energies, and ligand binding affinities.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2687, doi. 10.1002/jcc.23437
- By:
- Publication type:
- Article
5
Absolute free energies of biomolecules from unperturbed ensembles.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2726, doi. 10.1002/jcc.23448
- By:
- Publication type:
- Article
6
Monte carlo simulations of proteins at constant pH with generalized born solvent, flexible sidechains, and an effective dielectric boundary.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2742, doi. 10.1002/jcc.23450
- By:
- Publication type:
- Article
7
The F130L mutation in streptavidin reduces its binding affinity to biotin through electronic polarization effect.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2677, doi. 10.1002/jcc.23421
- By:
- Publication type:
- Article
8
Comparison of the capillary wave method and pressure tensor route for calculation of interfacial tension in molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2707, doi. 10.1002/jcc.23443
- By:
- Publication type:
- Article
9
The RTAM electronic bibliography, version 17.0, on relativistic theory of atoms and molecules.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2667, doi. 10.1002/jcc.23454
- By:
- Publication type:
- Article
10
Cover Image, Volume 34, Issue 31.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. i, doi. 10.1002/jcc.23479
- Publication type:
- Article
11
Ab Initio molecular dynamics study of ethylene adsorption onto Si(001) surface: Short-time fourier transform analysis of structural coordinate autocorrelation function.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 31, p. 2697, doi. 10.1002/jcc.23434
- By:
- Publication type:
- Article