Cationic Zinc Species in ZSM-5 Zeolites: Structure and Stability from Embedded Cluster Modeling.
- Published in:
- Soft Materials, 2012, v. 10, n. 1-3, p. 216, doi. 10.1080/1539445X.2011.599713
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- Publication type:
- Article
Works in Soft Materials, 2012, Vol 10, Issue 1-3
Results: 17
1
2
Relationship between Sorbate Transport Inside and at the Margins of Zeolite Crystals.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 202, doi. 10.1080/1539445X.2011.599710
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- Publication type:
- Article
3
Investigation of The Nucleation and Growth of Methanol Clusters from Supersaturated Vapor by Molecular Dynamics Simulations.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 130, doi. 10.1080/1539445X.2011.599704
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- Publication type:
- Article
4
Kinetic Monte Carlo Simulation of the Adsorption Competition of Epoxide Components on the Aluminium Oxide Surface.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 235, doi. 10.1080/1539445X.2011.599714
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- Publication type:
- Article
5
Multiscale Modeling of Reaction and Diffusion in Zeolites: From the Molecular Level to the Reactor.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 179, doi. 10.1080/1539445X.2011.599708
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- Publication type:
- Article
6
Knudsen Diffusion in Finite-Size Channels from a First-Passage Point of View.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 369, doi. 10.1080/1539445X.2011.599732
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- Publication type:
- Article
7
Numerical Study of the Zirconium Oxide System.
- Published in:
- Soft Materials, 2012, v. 10, n. 1-3, p. 344, doi. 10.1080/1539445X.2011.599730
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- Publication type:
- Article
8
Thermochemical Properties for Hydrogenated and Oxy-Hydrogenated Aluminum Species.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 313, doi. 10.1080/1539445X.2011.599728
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- Publication type:
- Article
9
Prediction of Thermodynamic and Kinetic Parameters for Interfacial Reactions of the SIO 2 System by Quantum Chemistry Methods.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 285, doi. 10.1080/1539445X.2011.599723
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- Publication type:
- Article
10
Modeling of Diffusion for Crystal Growth.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 257, doi. 10.1080/1539445X.2011.599715
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- Publication type:
- Article
11
Guest Editorial: Molecular Modeling and Simulation in Process and Materials Engineering.
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- 2012
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- Publication type:
- Editorial
12
Mean Force Simulation of the Adsorption of Aqueous Dilute Solutions.
- Published in:
- Soft Materials, 2012, v. 10, n. 1-3, p. 153, doi. 10.1080/1539445X.2011.599707
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- Publication type:
- Article
13
Universal Shape of the Fluid Density Profiles Near a Solid Boundary: LJ Vapor Near Weakly Attractive and Hard Walls.
- Published in:
- Soft Materials, 2012, v. 10, n. 1-3, p. 106, doi. 10.1080/1539445X.2011.599702
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- Publication type:
- Article
14
On the Treatment of Electrostatic Interactions of Non-spherical Molecules in Equation of State Models.
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- Soft Materials, 2012, v. 10, n. 1-3, p. 81, doi. 10.1080/1539445X.2011.599701
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- Publication type:
- Article
15
Molecular Dynamics Calculations of the Thermal Conductivity of Molecular Liquids, Polymers, and Carbon Nanotubes.
- Published in:
- Soft Materials, 2012, v. 10, n. 1-3, p. 42, doi. 10.1080/1539445X.2011.599699
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- Publication type:
- Article
16
Activity Coefficients of Complex Molecules by Molecular Simulation and Gibbs-Duhem Integration.
- Published in:
- Soft Materials, 2012, v. 10, n. 1-3, p. 26, doi. 10.1080/1539445X.2011.599698
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- Publication type:
- Article
17
Engineering Molecular Models: Efficient Parameterization Procedure and Cyclohexanol as Case Study.
- Published in:
- Soft Materials, 2012, v. 10, n. 1-3, p. 3, doi. 10.1080/1539445X.2011.599695
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- Publication type:
- Article