Macromolecular Theory and Simulations
Latest Publications

TOTAL DOCUMENTS

2026

(FIVE YEARS 182)

H-INDEX

48

(FIVE YEARS 4)

Published By Wiley (John Wiley & Sons)

1521-3919, 1022-1344

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Thiol‐Ene Polymerisation of Natural Monomers: A DFT Study

Macromolecular Theory and Simulations ◽

10.1002/mats.202100073 ◽

2022 ◽

pp. 2100073

Author(s):

Hamissou Mohaman ◽

Dilan Tuncer ◽

Isa Degirmenci

Keyword(s):

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Clarifying the Effect of Drafting Conditions on Structure and Properties of Polyimide Fibers at Molecular Dynamic Level

Macromolecular Theory and Simulations ◽

10.1002/mats.202100081 ◽

2022 ◽

pp. 2100081

Author(s):

Daolei Lin ◽

Ming Jiang ◽

Runyue Li ◽

Shengli Qi ◽

Dezhen Wu

Keyword(s):

Molecular Dynamic ◽

Structure And Properties ◽

Polyimide Fibers ◽

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Modeling and Numerical Studies of Three‐Dimensional Conically Shaped Microwells Using Non‐Uniform Photolithography

Macromolecular Theory and Simulations ◽

10.1002/mats.202100085 ◽

2022 ◽

pp. 2100085

Author(s):

Ahmad Ali Manzoor ◽

Dae Kun Hwang

Keyword(s):

Three Dimensional ◽

Numerical Studies

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Numerical Study of Residual Stresses Due to External Cooling in Extruded Polymer Profiles

Macromolecular Theory and Simulations ◽

10.1002/mats.202100074 ◽

2021 ◽

pp. 2100074

Author(s):

Michelle M. A. Spanjaards ◽

Martien A. Hulsen ◽

Patrick D. Anderson

Keyword(s):

Residual Stresses ◽

Numerical Study ◽

External Cooling

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A Coarse‐Grained Model for cis ‐Polyisoprene: Thermal Expansion and Glass Transition Temperature

Macromolecular Theory and Simulations ◽

10.1002/mats.202100083 ◽

2021 ◽

pp. 2100083

Author(s):

Orrasa In‐noi ◽

Khongvit Prasitnok

Keyword(s):

Thermal Expansion ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Coarse Grained ◽

Coarse Grained Model

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Deterministic and Stochastic Parameter Estimation for Polymer Reaction Kinetics I: Theory and Simple Examples

Macromolecular Theory and Simulations ◽

10.1002/mats.202170012 ◽

2021 ◽

Vol 30 (6) ◽

pp. 2170012

Author(s):

Niklas Wulkow ◽

Regina Telgmann ◽

Klaus‐Dieter Hungenberg ◽

Christof Schütte ◽

Michael Wulkow

Keyword(s):

Parameter Estimation ◽

Reaction Kinetics ◽

Polymer Reaction ◽

Stochastic Parameter

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Masthead: Macromol. Theory Simul. 6/2021

Macromolecular Theory and Simulations ◽

10.1002/mats.202170013 ◽

2021 ◽

Vol 30 (6) ◽

pp. 2170013

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30 Years of Macromolecular Theory and Simulations

Macromolecular Theory and Simulations ◽

10.1002/mats.202100072 ◽

2021 ◽

Vol 30 (6) ◽

pp. 2100072

Author(s):

Stefan Spiegel

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Investigation of Self‐Assembly of Symmetric and Asymmetric Peptide Bolaamphiphiles by COSMO‐RS and Atomistic Simulations and their Interactions with POPC Bilayers

Macromolecular Theory and Simulations ◽

10.1002/mats.202100066 ◽

2021 ◽

pp. 2100066

Author(s):

Charlotta G. Lebedenko ◽

Ipsita A. Banerjee

Keyword(s):

Self Assembly ◽

Atomistic Simulations

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Influence of Process Parameters on the Gas Phase Polymerization of Ethylene: RSM or ANN Statistical Methods?

Macromolecular Theory and Simulations ◽

10.1002/mats.202100059 ◽

2021 ◽

pp. 2100059

Author(s):

Niyi B. Ishola ◽

Timothy F.L. McKenna

Keyword(s):

Gas Phase ◽

Statistical Methods ◽

Process Parameters ◽

Influence Of Process Parameters ◽

Gas Phase Polymerization

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