Conformational ensembles and sampled energy landscapes: Analysis and comparison.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 16, p. 1213, doi. 10.1002/jcc.23913
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 16
Results: 9
1
2
Development of minimized mixing molecular orbital method for designing organic ferromagnets.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 16, p. 1232, doi. 10.1002/jcc.23915
- By:
- Publication type:
- Article
3
MOLSIM: A modular molecular simulation software.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 16, p. 1259, doi. 10.1002/jcc.23919
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- Publication type:
- Article
4
Cover Image, Volume 36, Issue 16.
- Published in:
- 2015
- Publication type:
- Other
5
Cover Image, Volume 36, Issue 16.
- Published in:
- 2015
- Publication type:
- Other
6
Efficient parametrization of complex molecule-surface force fields.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 16, p. 1187, doi. 10.1002/jcc.23904
- By:
- Publication type:
- Article
7
Free energetics of carbon nanotube association in aqueous inorganic Na I salt solutions: Temperature effects using all-atom molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 16, p. 1196, doi. 10.1002/jcc.23906
- By:
- Publication type:
- Article
8
Electronic stress tensor analysis of molecules in gas phase of CVD process for gesbte alloy.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 16, p. 1240, doi. 10.1002/jcc.23920
- By:
- Publication type:
- Article
9
Ab initio calculations of the ground and excited states of the Zr N molecule including spin-orbit effects.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 16, p. 1252, doi. 10.1002/jcc.23921
- By:
- Publication type:
- Article