Cover Image, Volume 38, Issue 30.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. i, doi. 10.1002/jcc.25078
- Publication type:
- Article
Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 30
Results: 10
1
2
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2553, doi. 10.1002/jcc.24588
- Publication type:
- Article
3
Instanton rate constant calculations close to and above the crossover temperature.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2570, doi. 10.1002/jcc.24914
- By:
- Publication type:
- Article
4
Phonon spectra, electronic, and thermodynamic properties of WS<sub>2</sub> nanotubes.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2581, doi. 10.1002/jcc.24916
- By:
- Publication type:
- Article
5
Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2594, doi. 10.1002/jcc.24917
- By:
- Publication type:
- Article
6
Evaluating electronic structure methods for accurate calculation of <sup>19</sup>F chemical shifts in fluorinated amino acids.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2605, doi. 10.1002/jcc.24919
- By:
- Publication type:
- Article
7
Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2559, doi. 10.1002/jcc.24880
- By:
- Publication type:
- Article
8
Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2618, doi. 10.1002/jcc.24922
- By:
- Publication type:
- Article
9
Efficacy of independence sampling in replica exchange simulations of ordered and disordered proteins.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2632, doi. 10.1002/jcc.24923
- By:
- Publication type:
- Article
10
Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2641, doi. 10.1002/jcc.25052
- By:
- Publication type:
- Article