Structure and stability of supramolecular crown ether complexes.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1467, doi. 10.1002/jcc.23950
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 19
Results: 8
1
2
Mode-tracking based stationary-point optimization.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1429, doi. 10.1002/jcc.23958
- By:
- Publication type:
- Article
3
First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1439, doi. 10.1002/jcc.23941
- By:
- Publication type:
- Article
4
Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1480, doi. 10.1002/jcc.23943
- By:
- Publication type:
- Article
5
Replica state exchange metadynamics for improving the convergence of free energy estimates.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1446, doi. 10.1002/jcc.23945
- By:
- Publication type:
- Article
6
A hierarchical algorithm for molecular similarity ( H-FORMS).
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1456, doi. 10.1002/jcc.23947
- By:
- Publication type:
- Article
7
Cover Image, Volume 36, Issue 19.
- Published in:
- 2015
- Publication type:
- Other
8
Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 19, p. 1473, doi. 10.1002/jcc.23937
- By:
- Publication type:
- Article