Evaluation of electrostatic descriptors for predicting crystalline density.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2146, doi. 10.1002/jcc.23369
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 25
Results: 11
1
2
Cover Image, Volume 34, Issue 25.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. i, doi. 10.1002/jcc.23425
- Publication type:
- Article
3
Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: Weighted core-valence correlation consistent basis sets for the 4 d elements Y-Pd.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2168, doi. 10.1002/jcc.23372
- By:
- Publication type:
- Article
4
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2135, doi. 10.1002/jcc.23354
- By:
- Publication type:
- Article
5
GALAMOST: GPU-accelerated large-scale molecular simulation toolkit.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2197, doi. 10.1002/jcc.23365
- By:
- Publication type:
- Article
6
Comparison of treecodes for computing electrostatic potentials in charged particle systems with disjoint targets and sources.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2159, doi. 10.1002/jcc.23371
- By:
- Publication type:
- Article
7
Global optimization of parameters in the reactive force field ReaxFF for SiOH.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2178, doi. 10.1002/jcc.23382
- By:
- Publication type:
- Article
8
GTKDynamo: A PyMOL plug-in for QC/MM hybrid potential simulations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2190, doi. 10.1002/jcc.23346
- By:
- Publication type:
- Article
9
Transition polarizability model of induced resonance Raman optical activity.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2152, doi. 10.1002/jcc.23370
- By:
- Publication type:
- Article
10
Inside Cover, Volume 34, Issue 25.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. iii, doi. 10.1002/jcc.23426
- Publication type:
- Article
11
VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 25, p. 2212, doi. 10.1002/jcc.23367
- By:
- Publication type:
- Article