Cover Image, Volume 35, Issue 23.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 23
Results: 9
1
2
Performance of density-functional tight-binding models in describing hydrogen-bonded anionic-water clusters.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 23, p. 1707, doi. 10.1002/jcc.23677
- By:
- Publication type:
- Article
3
Improving the calculation of magnetic coupling constants in MRPT methods.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 23, p. 1665, doi. 10.1002/jcc.23672
- By:
- Publication type:
- Article
4
Valence state parameters of all transition metal atoms in metalloproteins-development of ABEEMσπ fluctuating charge force field.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 23, p. 1690, doi. 10.1002/jcc.23676
- By:
- Publication type:
- Article
5
Replica exchange with guided annealing for accelerated sampling of disordered protein conformations.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 23, p. 1682, doi. 10.1002/jcc.23675
- By:
- Publication type:
- Article
6
Coupled-cluster frozen-density embedding using resolution of the identity methods.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 23, p. 1716, doi. 10.1002/jcc.23679
- By:
- Publication type:
- Article
7
Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 23, p. 1725, doi. 10.1002/jcc.23674
- By:
- Publication type:
- Article
8
Cover Image, Volume 35, Issue 23.
- Published in:
- 2014
- Publication type:
- Other
9
Exploring chemical reactivity of complex systems with path-based coordinates: Role of the distance metric.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 23, p. 1672, doi. 10.1002/jcc.23673
- By:
- Publication type:
- Article