Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 321, doi. 10.1002/jcc.23785
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 5
Results: 10
1
2
New algorithms for iterative matrix-free eigensolvers in quantum chemistry.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 273, doi. 10.1002/jcc.23800
- By:
- Publication type:
- Article
3
Quantum-chemistry based calibration of the alkali metal cation series (Li<sup>+</sup>Cs<sup>+</sup>) for large-scale polarizable molecular mechanics/dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 285, doi. 10.1002/jcc.23801
- By:
- Publication type:
- Article
4
Automatic algorithms for completeness-optimization of Gaussian basis sets.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 335, doi. 10.1002/jcc.23802
- By:
- Publication type:
- Article
5
pmx: Automated protein structure and topology generation for alchemical perturbations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 348, doi. 10.1002/jcc.23804
- By:
- Publication type:
- Article
6
A surface hopping algorithm for nonadiabatic minimum energy path calculations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 312, doi. 10.1002/jcc.23805
- By:
- Publication type:
- Article
7
Local response dispersion method in periodic systems: Implementation and assessment.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 303, doi. 10.1002/jcc.23807
- By:
- Publication type:
- Article
8
Cover Image, Volume 36, Issue 5.
- Published in:
- 2015
- Publication type:
- Other
9
Cover Image, Volume 36, Issue 5.
- Published in:
- 2015
- Publication type:
- Other
10
Cover Image, Volume 36, Issue 5.
- Published in:
- 2015
- Publication type:
- Other