Molecular dynamics simulation study for diffusion of Na ion in water-filled carbon nanotubes at 25°C.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 335, doi. 10.1080/08927022.2013.814913
- By:
- Publication type:
- Article
Works matching IS 0892-7022 AND VI 40 AND IP 4 AND DT 2014
Results: 10
1
2
Discovery of novel small-molecule Src kinase inhibitors via a kinase-focused druglikeness rule and structure-based virtual screening.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 341, doi. 10.1080/08927022.2013.809717
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- Publication type:
- Article
3
A theoretical study of the conformational preference of alkyl- and aryl-substituted pyrogallol[4]arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 327, doi. 10.1080/08927022.2013.806806
- By:
- Publication type:
- Article
4
A molecular dynamics analysis of homogeneous bubble nucleation with a noncondensable gas in cryogenic cavitation inception.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 320, doi. 10.1080/08927022.2013.805413
- By:
- Publication type:
- Article
5
Simulation for diffusion behaviour of molecules in nanopattern-supported lipid bilayers based on random walk theory.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 313, doi. 10.1080/08927022.2013.803553
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- Publication type:
- Article
6
Theoretical study of the interaction between X (H, F) and graphene.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 306, doi. 10.1080/08927022.2013.803552
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- Publication type:
- Article
7
Conformations and hydration structure of hydrophobic polyelectrolyte atactic poly(ethacrylic acid) in dilute aqueous solution as a function of neutralisation.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 295, doi. 10.1080/08927022.2013.803551
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- Publication type:
- Article
8
The thermosetting resin prepared by curing reaction of typical soybean oil and properties of the product network structures: a multiscale simulation study.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 285, doi. 10.1080/08927022.2013.803102
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- Publication type:
- Article
9
First-principles study on the current–voltage characteristics of B 24 N 24 fullerene-like nanocage.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 275, doi. 10.1080/08927022.2013.803101
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- Publication type:
- Article
10
Development of classification- and regression-based QSAR models and in silico screening of skin sensitisation potential of diverse organic chemicals.
- Published in:
- Molecular Simulation, 2014, v. 40, n. 4, p. 261, doi. 10.1080/08927022.2013.801076
- By:
- Publication type:
- Article