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Volume 40; Issue 7-9
Main
Molecular Simulation
Volume 40; Issue 7-9
Molecular Simulation
Volume 40; Issue 7-9
1
Computational approaches to study adsorption in MOFs with unsaturated metal sites
Fischer, Michael
,
Gomes, José R.B.
,
Jorge, Miguel
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 740 KB
Your tags:
english, 2014
2
Predictive simulations of the structural and adsorptive properties for PIM-1 variations
Larsen, Gregory S.
,
Hart, Kyle E.
,
Colina, Coray M.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 495 KB
Your tags:
english, 2014
3
Methane and carbon dioxide adsorption and diffusion in amorphous, metal-decorated nanoporous silica
Suraweera, Nethika S.
,
Albert, Austin A.
,
Peretich, Michael E.
,
Abbott, Joshua
,
Humble, James R.
,
Barnes, Craig E.
,
Keffer, David J.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 501 KB
Your tags:
english, 2014
4
Recent advances in the molecular simulation of adsorption
Delhommelle, Jerome
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 62 KB
Your tags:
english, 2014
5
Pressure effects in confined nanophases
Coasne, B.
,
Long, Y.
,
Gubbins, K.E.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 423 KB
Your tags:
english, 2014
6
Molecular dynamics simulations of uranyl adsorption and structure on the basal surface of muscovite
Teich-McGoldrick, Stephanie L.
,
Greathouse, Jeffery A.
,
Cygan, Randall T.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 446 KB
Your tags:
english, 2014
7
Effects of electrostatic interactions on gas adsorption and permeability of MOF membranes
Erucar, Ilknur
,
Manz, Thomas A.
,
Keskin, Seda
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 602 KB
Your tags:
english, 2014
8
Understanding the effect of adsorption on activated processes using molecular theory and simulation
Santiso, Erik E.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 931 KB
Your tags:
english, 2014
9
Molecular simulations of physical and chemical adsorption under gas and liquid environments using force field- and quantum mechanics-based methods
Ward, Baxter M.
,
Getman, Rachel B.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 650 KB
Your tags:
english, 2014
10
Fluid adsorption in linear pores: a molecular simulation study of the influence of heterogeneities on the hysteresis loop and the distribution of metastable states
Puibasset, Joël
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 358 KB
Your tags:
english, 2014
11
Nanoconfined gases, liquids and liquid crystals in porous materials
Ghoufi, Aziz
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 830 KB
Your tags:
english, 2014
12
Reconciliation of different simulation methods in the determination of the equilibrium branch for adsorption in pores
Nguyen, Van T.
,
Do, D.D.
,
Nicholson, D.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 373 KB
Your tags:
english, 2014
13
Structure of sodium sulphate aqueous solution/quartz interface: a molecular dynamics simulation
Ma, Yi-Min
,
Zhang, Hui
,
Zhang, Bing-Jian
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 264 KB
Your tags:
english, 2014
14
Molecular simulations in metal–organic frameworks for diverse potential applications
Jiang, Jianwen
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 1.15 MB
Your tags:
english, 2014
15
Wang–Landau sampling of the interplay between surface adsorption and folding of HP lattice proteins
Li, Y.W.
,
Wüst, T.
,
Landau, D.P.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 579 KB
Your tags:
english, 2014
16
Exploring new methods and materials for enantioselective separations and catalysis
Dubbeldam, David
,
Calero, Sofia
,
Vlugt, Thijs J.H.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 566 KB
Your tags:
english, 2014
17
Adsorption and diffusion of the antiparkinsonian drug amantadine in carbon nanotubes
Hicks, E.
,
Desgranges, C.
,
Delhommelle, J.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 650 KB
Your tags:
english, 2014
18
Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases
Annapureddy, Harsha V.R.
,
Motkuri, Radha K.
,
Nguyen, Phuong T.M.
,
Truong, Tai B.
,
Thallapally, Praveen K.
,
McGrail, B. Peter
,
Dang, Liem X.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 780 KB
Your tags:
english, 2014
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