Macromolecular Theory and Simulations

Most Accessed in 5/2013

• Erich D. Bain, Salomon Turgman-Cohen, Jan Genzer*
  Progress in Computer Simulation of Bulk, Confined, and Surface-initiated Polymerizations [Review]
  Macromol. Theory Simul. 2013, vol. 22, p. 8
• Jiaqi Dong, Jian Zhou*
  Solvent-Responsive Behavior of Polymer-Brush-Modified Amphiphilic Gold Nanoparticles [Full Paper]
  Macromol. Theory Simul. 2013, vol. 22, p. 174
• Manfred Klüppel*, Joachim Schramm
  A generalized tube model of rubber elasticity and stress softening of filler reinforced elastomer systems [Full Paper]
  Macromol. Theory Simul. 2000, vol. 9, p. 742
• Alex M. van Herk*, Anton L. German
  Modeling of emulsion co- and terpolymerizations: Will it ever be possible? [Feature Article]
  Macromol. Theory Simul. 1998, vol. 7, p. 557
• Dagmar R. D'hooge, Dominik Konkolewicz, Marie-Françoise Reyniers, Guy B. Marin, Krzysztof Matyjaszewski*
  Kinetic Modeling of ICAR ATRP [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 52
• P. V. Komarov*, I. V. Mikhailov, Y.-T. Chiu, S.-M. Chen, P. G. Khalatur
  Molecular Dynamics Study of Interface Structure in Composites Comprising Surface-Modified SiO₂ Nanoparticles and a Polyimide Matrix [Full Paper]
  Macromol. Theory Simul. 2013, vol. 22, p. 187
• Ryszard Szymanski*
  On the Importance of the Principle of Microscopic Reversibility in Copolymerization Systems [Communication]
  Macromol. Theory Simul. 2013, vol. 22, p. 221
• Marcio R. Loos*, Karl Schulte
  Is It Worth the Effort to Reinforce Polymers With Carbon Nanotubes? [Full Paper]
  Macromol. Theory Simul. 2011, vol. 20, p. 350
• Paul H. M. Van Steenberge, Dagmar R. D'hooge, Joke Vandenbergh, Marie-Françoise Reyniers*, Peter J. Adriaensens, Dirk J. M. Vanderzande, Guy B. Marin
  Comparative Kinetic Monte Carlo study of the Sulfinyl and Dithiocarbamate Precursor Route toward Highly Regioregular MDMO-PPV [Full Paper]
  Macromol. Theory Simul. 2013, vol. 22, p. 246
• Carolina Toloza Porras, Dagmar R. D'hooge, Marie-Françoise Reyniers*, Guy B. Marin
  Computer-Aided Optimization of Conditions for Fast and Controlled ICAR ATRP of n-Butyl Acrylate [Full Paper]
  Macromol. Theory Simul. 2013, vol. 22, p. 136
• Wei Tang, Krzysztof Matyjaszewski*
  Kinetic Modeling of Normal ATRP, Normal ATRP with [Cu^II]₀, Reverse ATRP and SR&NI ATRP [Feature Article]
  Macromol. Theory Simul. 2008, vol. 17, p. 359
• Yue Mu*, Guoqun Zhao*, Anbiao Chen, Xianghong Wu
  Modeling and Simulation of the Crystallization Behavior of Polymer Melts in the Hollow-Profile Extrusion Process Using the Coexistence Model of Spherulite and Shish-Kebab [Full Paper]
  Macromol. Theory Simul. 2013, vol. 22, p. 36
• Rongliang Wu*, Ting Li, Erik Nies*
  Langevin Dynamics Simulation of Chain Crosslinking into Polymer Networks [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 250
• Dmytro Hudzinskyy, Matthias A. J. Michels, Alexey V. Lyulin*
  Rejuvenation, Aging, and Confinement Effects in Atactic-Polystyrene Films Subjected to Oscillatory Shear [Full Paper]
  Macromol. Theory Simul. 2013, vol. 22, p. 71
• Irina A. Nyrkova, Alexander N. Semenov*
  On the Theory of Micellization Kinetics [Full Paper]
  Macromol. Theory Simul. 2005, vol. 14, p. 569

Most Accessed 6/2012–5/2013

• Erich D. Bain, Salomon Turgman-Cohen, Jan Genzer*
  Progress in Computer Simulation of Bulk, Confined, and Surface-initiated Polymerizations [Review]
  Macromol. Theory Simul. 2013, vol. 22, p. 8
• Dagmar R. D'hooge, Dominik Konkolewicz, Marie-Françoise Reyniers, Guy B. Marin, Krzysztof Matyjaszewski*
  Kinetic Modeling of ICAR ATRP [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 52
• Hongbo Wang, Kyung Min Lee, Timothy J. White, William S. Oates*
  trans–cis and trans–cis–trans Microstructure Evolution of Azobenzene Liquid-Crystal Polymer Networks [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 285
• Wei Tang, Krzysztof Matyjaszewski*
  Kinetic Modeling of Normal ATRP, Normal ATRP with [Cu^II]₀, Reverse ATRP and SR&NI ATRP [Feature Article]
  Macromol. Theory Simul. 2008, vol. 17, p. 359
• Jiaqi Dong, Jian Zhou*
  Solvent-Responsive Behavior of Polymer-Brush-Modified Amphiphilic Gold Nanoparticles [Full Paper]
  Macromol. Theory Simul. 2013, vol. 22, p. 174
• Olga A. Gus'kova, Pavel G. Khalatur*, Alexei R. Khokhlov
  Self-Assembled Polythiophene-Based Nanostructures: Numerical Studies [Review]
  Macromol. Theory Simul. 2009, vol. 18, p. 219
• Marcio R. Loos*, Karl Schulte
  Is It Worth the Effort to Reinforce Polymers With Carbon Nanotubes? [Full Paper]
  Macromol. Theory Simul. 2011, vol. 20, p. 350
• Dieter Hofmann*, Lydia Fritz, Jens Ulbrich, Claudia Schepers, Martin Böhning
  Detailed-atomistic molecular modeling of small molecule diffusion and solution processes in polymeric membrane materials [Feature Article]
  Macromol. Theory Simul. 2000, vol. 9, p. 293
• Mohammad Alaghemandi, Eckhard Spohr*
  Molecular Dynamics Investigation of the Thermo-Responsive Polymer Poly(N-isopropylacrylamide) [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 106
• Dimitris S. Achilias*
  A Review of Modeling of Diffusion Controlled Polymerization Reactions [Review]
  Macromol. Theory Simul. 2007, vol. 16, p. 319
• Xinrui Yu, Linda J. Broadbelt*
  Kinetic Study of 1,5-Hydrogen Transfer Reactions of Methyl Acrylate and Butyl Acrylate Using Quantum Chemistry [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 461
• Serge Beaupré, Michel Belletête, Gilles Durocher, Mario Leclerc*
  Rational Design of Poly(2,7-Carbazole) Derivatives for Photovoltaic Applications [Communication]
  Macromol. Theory Simul. 2011, vol. 20, p. 13
• Xuejin Li*, Xiaolong Li, Mingge Deng, Haojun Liang*
  Effects of Electrostatic Interactions on the Translocation of Polymers Through a Narrow Pore Under Different Solvent Conditions: A Dissipative Particle Dynamics Simulation Study [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 120
• Peter Cifra*, Tomáš Bleha
  Free Energy of Polymers Confined in Open and Closed Cavities [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 15
• Ketan S. Khare, Rajesh Khare*
  Directed Diffusion Approach for Preparing Atomistic Models of Crosslinked Epoxy for Use in Molecular Simulations [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 322
• Moeed Shahamat*, Alejandro D. Rey*
  Characterization of Pressure Effects on the Cohesive Properties and Structure of Hexane and Polyethylene Using Molecular Dynamics Simulations [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 535
• Yury A. Kriksin, Pavel G. Khalatur*
  Parallel Algorithm for 3D SCF Simulation of Copolymers With Flexible and Rigid Blocks [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 382
• Philipp Vana, Thomas P. Davis, Christopher Barner-Kowollik*
  Kinetic Analysis of Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerizations: Conditions for Inhibition, Retardation, and Optimum Living Polymerization [Full Paper]
  Macromol. Theory Simul. 2002, vol. 11, p. 823
• Alexander A. Auer*, Antje Richter, Anatoly V. Berezkin, Daria V. Guseva, Stefan Spange
  Theoretical Study of Twin Polymerization – From Chemical Reactivity to Structure Formation [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 615
• Shunnian Wu*, Hua Li, J. Paul Chen, K. Y. Lam
  Modeling Investigation of Hydrogel Volume Transition [Review]
  Macromol. Theory Simul. 2004, vol. 13, p. 13
• Jarosław Sylwester Kłos*, Jens Uwe Sommer
  Simulation of Complexes between a Charged Dendrimer and a Linear Polyelectrolyte with Finite Rigidity [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 448
• Stefan Spiegel
  A Grown-Up Child… [Editorial]
  Macromol. Theory Simul. 2012, vol. 21, p. 6
• Andrew J. Guenthner, Sureeporn Khombhongse, Wenxia Liu, Pratyush Dayal, Darrell H. Reneker, Thein Kyu*
  Dynamics of Hollow Nanofiber Formation During Solidification Subjected to Solvent Evaporation [Full Paper]
  Macromol. Theory Simul. 2006, vol. 15, p. 87
• Dominik Konkolewicz, Angus Gray-Weale*, Sébastien Perrier*
  Describing the Structure of a Randomly Hyperbranched Polymer [Special Article Series - Full Paper]
  Macromol. Theory Simul. 2010, vol. 19, p. 219
• Rongliang Wu*, Ting Li, Erik Nies*
  Langevin Dynamics Simulation of Chain Crosslinking into Polymer Networks [Full Paper]
  Macromol. Theory Simul. 2012, vol. 21, p. 250