Cover Image, Volume 36, Issue 24.
- Published in:
- 2015
- Publication type:
- Other
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 24
Results: 8
1
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Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 24, p. 1787, doi. 10.1002/jcc.24000
- By:
- Publication type:
- Article
3
Contrasting electronic requirements for CH binding and CH activation in d<sup>6</sup> half-sandwich complexes of rhenium and tungsten.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 24, p. 1818, doi. 10.1002/jcc.24002
- By:
- Publication type:
- Article
4
Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 24, p. 1831, doi. 10.1002/jcc.24003
- By:
- Publication type:
- Article
5
Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 24, p. 1858, doi. 10.1002/jcc.24005
- By:
- Publication type:
- Article
6
Realistic sampling of amino acid geometries for a multipolar polarizable force field.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 24, p. 1844, doi. 10.1002/jcc.24006
- By:
- Publication type:
- Article
7
Adsorption-induced changes of intramolecular optical transitions: PTCDA/NaCl and PTCDA/KCl.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 24, p. 1805, doi. 10.1002/jcc.23990
- By:
- Publication type:
- Article
8
A theoretical study of imine hydrocyanation catalyzed by halogen-bonding.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 24, p. 1812, doi. 10.1002/jcc.23999
- By:
- Publication type:
- Article