A protocol to evaluate one electron redox potential for iron complexes.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2233, doi. 10.1002/jcc.23380
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 26
Results: 9
1
2
Grcarma: A fully automated task-oriented interface for the analysis of molecular dynamics trajectories.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2310, doi. 10.1002/jcc.23381
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- Publication type:
- Article
3
GPU-accelerated molecular mechanics computations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2249, doi. 10.1002/jcc.23384
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- Publication type:
- Article
4
Ligand release mechanisms and channels in histone deacetylases.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2270, doi. 10.1002/jcc.23390
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- Publication type:
- Article
5
Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2242, doi. 10.1002/jcc.23383
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- Publication type:
- Article
6
LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2284, doi. 10.1002/jcc.23375
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- Publication type:
- Article
7
1,3-Dipolar cycloadditions of Stone-Wales defective single-walled carbon nanotubes: A theoretical study.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2223, doi. 10.1002/jcc.23368
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- Publication type:
- Article
8
New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2293, doi. 10.1002/jcc.23377
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- Publication type:
- Article
9
Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2261, doi. 10.1002/jcc.23385
- By:
- Publication type:
- Article