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Doros N. Theodorou

Veröffentlichungen von Doros N. Theodorou zu Theodorou, Doros N.. ->
weitere Veröffentlichungen von Doros N. Theodorou:
Variable-density model of polymer melt/solid interfaces: structure, adhesion tension, and surface forces (1989)
Variable-density model of polymer melt surfaces: structure and surface tension (1989)
Microscopic structure and thermodynamic properties of bulk copolymers and surface-active polymers at interfaces. 2. Results for some representative chain architectures (1988)
Microscopic structure and thermodynamic properties of bulk copolymers and surface-active polymers at interfaces. 1. Theory (1988)
Structure and thermodynamics of bulk homopolymer solid interfaces: a site lattice model approach (1988)
Lattice models for bulk polymers at interfaces (1988)
Local structure and the mechanism of response to elastic deformation in a glassy polymer (1986)
Atomistic modeling of mechanical properties of polymeric glasses (1986)
Detailed molecular structure of a vinyl polymer glass (1985)
Shape of unperturbed linear polymers: polypropylene (1985)
Variable Connectivity Method for the Atomistic Monte Carlo Simulation of Polydisperse Polymer Melts (1995)
Geometric analysis of diffusion pathways in glassy and melt atactic polypropylene (1993)
Molecular dynamics simulation of a glassy polymer surface (1991)
Atomistic simulation of a glassy polymer/graphite interface (1991)
Atomistic simulation of a glassy polymer surface (1990)
Veröffentlichungen zu Theodorou, Doros N.. [x]
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1
Kopsias, Nikolaos P.., Theodorou, Doros N.. Elementary structural transitions in the amorphous Lennard-Jones solid using multidimensional transition-state theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 109, No. 19 (1998), p. 8573-8582
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1998
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2
Maginn, Edward J.. Sorption Thermodynamics, Siting, and Conformation of Long n-Alkanes in Silicalite As Predicted by Configurational-Bias Monte Carlo Integration
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 7 (1995), p. 2057-2079
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1995
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3
Kyrlidis, Agathagelos. Electronic Structure Calculations of Ammonia Adsorption in H-ZSM-5 Zeolites
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 5 (1995), p. 1505-1515
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1995
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4
Pant, P. V. Krishna. Variable Connectivity Method for the Atomistic Monte Carlo Simulation of Polydisperse Polymer Melts
In: Macromolecules. - Washington, DC : Soc., ISSN 1520-5835, Vol. 28, No. 21 (1995), p. 7224-7234
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1995
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5
Rapold, Roland F.., Suter, Ulrich W.., ... Static atomistic modelling of the structure and ring dynamics of bulk amorphous polystyreneDedicated to the memory of Giorgio Ronca
in: Macromolecular Theory and Simulations, in: Macromolecular Theory and Simulations . - Weinheim : Wiley-VCH, ISSN 1022-1344, ZDB-ID 1475028-4 Vol. 3 (1. 1994), p. 19-43
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1994
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6
Snurr, Randall Q.. Investigation of the dynamics of benzene in silicalite using Transition-State Theory
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 46 (1994), p. 11948-11961
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1994
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7
Snurr, Randall Q.. A hierarchical atomistic/lattice simulation approach for the prediction of adsorption thermodynamics of benzene in silicalite
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 19 (1994), p. 5111-5119
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1994
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8
Theodorou, Doros N.., Boone, Travis D.., ... Stress tensor in model polymer systems with periodic boundaries
in: Die Makromolekulare Chemie, Theory and Simulations, in: Die Makromolekulare Chemie, Theory and Simulations . - Basel : Hüthig & Wepf, ISSN 1018-5054 Vol. 2 (2. 1993), p. 191-238
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1993
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9
Snurr, Randall Q.. Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 51 (1993), p. 13742-13752
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1993
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10
Cook, Stephen J.. Structural and electronic features of a Broensted acid site in H-ZSM-5
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 25 (1993), p. 6679-6685
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1993
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11
Maginn, Edward J.. Transport diffusivity of methane in silicalite from equilibrium and nonequilibrium simulations
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 16 (1993), p. 4173-4181
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1993
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12
Greenfield, Michael L.. Geometric analysis of diffusion pathways in glassy and melt atactic polypropylene
In: Macromolecules. - Washington, DC : Soc., ISSN 1520-5835, Vol. 26, No. 20 (1993), p. 5461-5472
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1993
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13
June, R. Larry. Molecular dynamics studies of butane and hexane in silicalite
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 3 (1992), p. 1051-1060
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1992
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14
Lonsinger, Stephen R., Chakraborty, Arup K., ... The effects of local structural relaxation on aluminum siting within H-ZSM-5
in: Catalysis letters , ISSN 1572-879X, Vol. 11 (2. 1991), p. 209-217
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1991
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15
June, R. Larry. Transition-state studies of xenon and sulfur hexafluoride diffusion in silicalite
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 22 (1991), p. 8866-8878
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1991
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16
June, R. Larry. Molecular dynamics study of methane and xenon in silicalite [Erratum to document cited in CA113(20):183284q]
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 2 (1991), p. 1014-1014
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1991
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17
Mansfield, Kevin F.. Molecular dynamics simulation of a glassy polymer surface
In: Macromolecules. - Washington, DC : Soc., ISSN 1520-5835, Vol. 24, No. 23 (1991), p. 6283-6294
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1991
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18
Mansfield, Kevin F.. Atomistic simulation of a glassy polymer/graphite interface
In: Macromolecules. - Washington, DC : Soc., ISSN 1520-5835, Vol. 24, No. 15 (1991), p. 4295-4309
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1991
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19
June, R. Larry. Molecular dynamics study of methane and xenon in silicalite
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 21 (1990), p. 8232-8240
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1990
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20
June, R. Larry. Prediction of low occupancy sorption of alkanes in silicalite
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 4 (1990), p. 1508-1516
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1990