| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons: A molecular simulation study
|
Liu, Lang
|
|
2015
|
121 |
C |
p. 268-278
11 p.
|
artikel
|
| 2 |
A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop?
|
Fan, Chunyan
|
|
2015
|
121 |
C |
p. 313-321
9 p.
|
artikel
|
| 3 |
Assembly engineering: Materials design for the 21st century (2013 P.V. Danckwerts lecture)
|
Glotzer, Sharon C.
|
|
2015
|
121 |
C |
p. 3-9
7 p.
|
artikel
|
| 4 |
Atomic-scale aspects of oriented attachment
|
Fichthorn, Kristen A.
|
|
2015
|
121 |
C |
p. 10-15
6 p.
|
artikel
|
| 5 |
Atomistic Monte Carlo and molecular dynamics simulation of the bulk phase self-assembly of semifluorinated alkanes
|
Tsourtou, Flora D.
|
|
2015
|
121 |
C |
p. 32-50
19 p.
|
artikel
|
| 6 |
Brownian dynamics simulations of planar mixed flows of polymer solutions at finite concentrations
|
Jain, Aashish
|
|
2015
|
121 |
C |
p. 245-257
13 p.
|
artikel
|
| 7 |
Building large microkinetic models with first-principles׳ accuracy at reduced computational cost
|
Sutton, Jonathan E.
|
|
2015
|
121 |
C |
p. 190-199
10 p.
|
artikel
|
| 8 |
Cellulose dissolution and regeneration in ionic liquids: A computational perspective
|
Gupta, Krishna M.
|
|
2015
|
121 |
C |
p. 180-189
10 p.
|
artikel
|
| 9 |
Computational structure characterization tools for the era of material informatics
|
Sarkisov, Lev
|
|
2015
|
121 |
C |
p. 322-330
9 p.
|
artikel
|
| 10 |
Crystal structure, stability, and electronic properties of hydrated metal sulfates MSO4(H2O) n (M=Ni, Mg; n=6, 7) and their mixed phases: A first principles study
|
Fang, Changming
|
|
2015
|
121 |
C |
p. 77-86
10 p.
|
artikel
|
| 11 |
2013 Danckwerts special issue on molecular modelling in chemical engineering
|
Biggs, Mark J.
|
|
2015
|
121 |
C |
p. 1-2
2 p.
|
artikel
|
| 12 |
Effect of free volume redistribution on the diffusivity of water and benzene in poly(vinyl alcohol)
|
Noorjahan, A.
|
|
2015
|
121 |
C |
p. 258-267
10 p.
|
artikel
|
| 13 |
Effect of functional groups on separating carbon dioxide from CO2/N2 gas mixtures using edge functionalized graphene nanoribbons
|
Dasgupta, Tonnishtha
|
|
2015
|
121 |
C |
p. 279-291
13 p.
|
artikel
|
| 14 |
Engineering molecular dynamics simulation in chemical engineering
|
Xu, Ji
|
|
2015
|
121 |
C |
p. 200-216
17 p.
|
artikel
|
| 15 |
Fundamental equation of state for ethylene oxide based on a hybrid dataset
|
Thol, Monika
|
|
2015
|
121 |
C |
p. 87-99
13 p.
|
artikel
|
| 16 |
Hydrogen-bonding interactions between a pyridinium-based ionic liquid [C4Py][SCN] and dimethyl sulfoxide
|
He, Hongyan
|
|
2015
|
121 |
C |
p. 169-179
11 p.
|
artikel
|
| 17 |
IFC
|
|
|
2015
|
121 |
C |
p. IFC-
1 p.
|
artikel
|
| 18 |
Insight into the nucleation of urea crystals from the melt
|
Giberti, Federico
|
|
2015
|
121 |
C |
p. 51-59
9 p.
|
artikel
|
| 19 |
Interaction forces between carbon nanospheres: A molecular dynamics simulation study
|
Sun, Weifu
|
|
2015
|
121 |
C |
p. 23-31
9 p.
|
artikel
|
| 20 |
Molecular dynamics as a tool to study heterogeneity in zeolites – Effect of Na+ cations on diffusion of CO2 and N2 in Na-ZSM-5
|
Newsome, David
|
|
2015
|
121 |
C |
p. 300-312
13 p.
|
artikel
|
| 21 |
Molecular mechanics and equation of state modeling of compressible polyolefin solutions: Impact of pressure and cut-off radius of intermolecular potentials
|
Shahamat, Moeed
|
|
2015
|
121 |
C |
p. 100-109
10 p.
|
artikel
|
| 22 |
Molecular modelling and simulation of the surface tension of real quadrupolar fluids
|
Werth, Stephan
|
|
2015
|
121 |
C |
p. 110-117
8 p.
|
artikel
|
| 23 |
Monte Carlo simulations of densely-packed athermal polymers in the bulk and under confinement
|
Foteinopoulou, Katerina
|
|
2015
|
121 |
C |
p. 118-132
15 p.
|
artikel
|
| 24 |
Multiscale molecular modeling can be an effective tool to aid the development of biomass conversion technology: A perspective
|
Mushrif, Samir H.
|
|
2015
|
121 |
C |
p. 217-235
19 p.
|
artikel
|
| 25 |
Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges
|
English, Niall J.
|
|
2015
|
121 |
C |
p. 133-156
24 p.
|
artikel
|
| 26 |
Predicting recombinant protein expression experiments using molecular dynamics simulation
|
Schaller, Andrea
|
|
2015
|
121 |
C |
p. 340-350
11 p.
|
artikel
|
| 27 |
Prediction of the crystal structures of axitinib, a polymorphic pharmaceutical molecule
|
Vasileiadis, Manolis
|
|
2015
|
121 |
C |
p. 60-76
17 p.
|
artikel
|
| 28 |
Propane simulated in silica pores: Adsorption isotherms, molecular structure, and mobility
|
Le, Thu
|
|
2015
|
121 |
C |
p. 292-299
8 p.
|
artikel
|
| 29 |
Ribonuclease A adsorption onto charged self-assembled monolayers: A multiscale simulation study
|
Liu, Jie
|
|
2015
|
121 |
C |
p. 331-339
9 p.
|
artikel
|
| 30 |
Screening of ionic liquids for CO2 capture using the COSMO-SAC model
|
Lee, Bong-Seop
|
|
2015
|
121 |
C |
p. 157-168
12 p.
|
artikel
|
| 31 |
Substrate directed self-assembly of anisotropic nanoparticles
|
Patra, Tarak K
|
|
2015
|
121 |
C |
p. 16-22
7 p.
|
artikel
|
| 32 |
System size effects on calculation of the viscosity of extended molecules
|
Bernardi, Stefano
|
|
2015
|
121 |
C |
p. 236-244
9 p.
|
artikel
|
| 33 |
Table of Contents
|
|
|
2015
|
121 |
C |
p. iii-iv
nvt p.
|
artikel
|
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