Doros Theodorou
Title
Cited by
Cited by
Year
Detailed molecular structure of a vinyl polymer glass
DN Theodorou, UW Suter
Macromolecules 18 (7), 1467-1478, 1985
10051985
Atomistic modeling of mechanical properties of polymeric glasses
DN Theodorou, UW Suter
Macromolecules 19 (1), 139-154, 1986
6101986
Diffusion in Nanoporous Materials, 2 Volume Set
J Kärger, DM Ruthven, DN Theodorou
John Wiley & Sons, 2012
5332012
Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions
RQ Snurr, AT Bell, DN Theodorou
The Journal of Physical Chemistry 97 (51), 13742-13752, 1993
4331993
Molecular dynamics simulation of a glassy polymer surface
KF Mansfield, DN Theodorou
Macromolecules 24 (23), 6283-6294, 1991
3941991
Shape of unperturbed linear polymers: polypropylene
DN Theodorou, UW Suter
Macromolecules 18 (6), 1206-1214, 1985
3901985
Transport diffusivity of methane in silicalite from equilibrium and nonequilibrium simulations
EJ Maginn, AT Bell, DN Theodorou
The Journal of Physical Chemistry 97 (16), 4173-4181, 1993
3561993
A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses
LR Dodd, TD Boone, DN Theodorou
Molecular Physics 78 (4), 961-996, 1993
3451993
Molecular dynamics study of methane and xenon in silicalite
RL June, AT Bell, DN Theodorou
Journal of Physical Chemistry 94 (21), 8232-8240, 1990
3141990
Topological analysis of linear polymer melts: a statistical approach
C Tzoumanekas, DN Theodorou
Macromolecules 39 (13), 4592-4604, 2006
2992006
Variable connectivity method for the atomistic Monte Carlo simulation of polydisperse polymer melts
PVK Pant, DN Theodorou
Macromolecules 28 (21), 7224-7234, 1995
2911995
End-bridging Monte Carlo: A fast algorithm for atomistic simulation of condensed phases of long polymer chains
VG Mavrantzas, TD Boone, E Zervopoulou, DN Theodorou
Macromolecules 32 (15), 5072-5096, 1999
2891999
Molecular dynamics studies of butane and hexane in silicalite
RL June, AT Bell, DN Theodorou
The Journal of Physical Chemistry 96 (3), 1051-1060, 1992
2761992
Prediction of low occupancy sorption of alkanes in silicalite
RL June, AT Bell, DN Theodorou
Journal of Physical Chemistry 94 (4), 1508-1516, 1990
2641990
A novel Monte Carlo scheme for the rapid equilibration of atomistic model polymer systems of precisely defined molecular architecture
NC Karayiannis, VG Mavrantzas, DN Theodorou
Physical review letters 88 (10), 105503, 2002
2522002
Crossover from the rouse to the entangled polymer melt regime: signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments
VA Harmandaris, VG Mavrantzas, DN Theodorou, M Kröger, J Ramirez, ...
Macromolecules 36 (4), 1376-1387, 2003
2392003
Interface of grafted and ungrafted silica nanoparticles with a polystyrene matrix: Atomistic molecular dynamics simulations
TVM Ndoro, E Voyiatzis, A Ghanbari, DN Theodorou, MC Böhm, ...
Macromolecules 44 (7), 2316-2327, 2011
2382011
Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites
H Jobic, DN Theodorou
Microporous and mesoporous materials 102 (1-3), 21-50, 2007
2232007
Transition-state studies of xenon and sulfur hexafluoride diffusion in silicalite
RL June, AT Bell, DN Theodorou
The Journal of Physical Chemistry 95 (22), 8866-8878, 1991
2221991
Atomistic molecular dynamics simulation of polydisperse linear polyethylene melts
VA Harmandaris, VG Mavrantzas, DN Theodorou
Macromolecules 31 (22), 7934-7943, 1998
2021998
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