Issue Information.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2671, doi. 10.1002/jcc.24181
- Publication type:
- Article
Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 31
Results: 8
1
2
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2677, doi. 10.1002/jcc.24493
- By:
- Publication type:
- Article
3
Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2687, doi. 10.1002/jcc.24494
- By:
- Publication type:
- Article
4
Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: Combination of the density-functional tight-binding theory and particle mesh Ewald method.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2701, doi. 10.1002/jcc.24497
- By:
- Publication type:
- Article
5
QTAIM and stress tensor interpretation of the (H<sub>2</sub>O)<sub>5</sub> potential energy surface.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2712, doi. 10.1002/jcc.24498
- By:
- Publication type:
- Article
6
Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2722, doi. 10.1002/jcc.24499
- By:
- Publication type:
- Article
7
Fast and accurate determination of the relative binding affinities of small compounds to HIV-1 protease using non-equilibrium work.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. 2734, doi. 10.1002/jcc.24502
- By:
- Publication type:
- Article
8
Cover Image, Volume 37, Issue 31.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 31, p. i, doi. 10.1002/jcc.24525
- Publication type:
- Article