Found: 36
Select item for more details and to access through your institution.
Group interaction modelling of polymer properties. By David Porter, Marcel Dekker, New York 1995, X, 512 pp., hardcover, $165.00, ISBN 0-8247-9599-7.
- Published in:
- Advanced Materials, 1996, v. 8, n. 6, p. 542, doi. 10.1002/adma.19960080621
- By:
- Publication type:
- Article
Properties of Polyvinyl Alcohol Oligomers: A Molecular Dynamics Study.
- Published in:
- Macromolecular Theory & Simulations, 2009, v. 18, n. 9, p. 545, doi. 10.1002/mats.200900030
- By:
- Publication type:
- Article
Molecular Dynamics Simulations of Cellulose Oligomers: Conformational Analysis.
- Published in:
- Macromolecular Theory & Simulations, 2004, v. 13, n. 5, p. 427, doi. 10.1002/mats.200300054
- By:
- Publication type:
- Article
Machine Learning Assisted Monte Carlo Simulation: Efficient Overlap Determination for Nonspherical Hard Bodies.
- Published in:
- Advanced Theory & Simulations, 2023, v. 6, n. 11, p. 1, doi. 10.1002/adts.202300520
- By:
- Publication type:
- Article
Interfacial Excess Free Energies of Solid-Liquid Interfaces by Molecular Dynamics Simulation and Thermodynamic Integration.
- Published in:
- Macromolecular Rapid Communications, 2009, v. 30, n. 9/10, p. 864, doi. 10.1002/marc.200800746
- By:
- Publication type:
- Article
Molecular dynamics approach to locally resolve elastic constants in nanocomposites and thin films: Mechanical description of solid-soft matter interphases via Young's modulus, Poisson's ratio and shear modulus.
- Published in:
- European Physical Journal E -- Soft Matter, 2014, v. 37, n. 10, p. 1, doi. 10.1140/epje/i2014-14103-5
- By:
- Publication type:
- Article
Heat transport through a biological membrane-An asymmetric property? Technical issues of nonequilibrium molecular dynamics methods.
- Published in:
- International Journal of Quantum Chemistry, 2011, v. 111, n. 7/8, p. 1403, doi. 10.1002/qua.22785
- By:
- Publication type:
- Article
Atomistic hybrid particle‐field molecular dynamics combined with slip‐springs: Restoring entangled dynamics to simulations of polymer melts.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 1, p. 6, doi. 10.1002/jcc.26428
- By:
- Publication type:
- Article
Adaptive-numerical-bias metadynamics.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2721, doi. 10.1002/jcc.25066
- By:
- Publication type:
- Article
A kinetic chain growth algorithm in coarse-grained simulations.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 30, p. 2634, doi. 10.1002/jcc.24495
- By:
- Publication type:
- Article
Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example.
- Published in:
- European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1817, doi. 10.1140/epjst/e2016-60127-0
- By:
- Publication type:
- Article
IBIsCO: A molecular dynamics simulation package for coarse-grained simulation.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 7, p. 1475, doi. 10.1002/jcc.21717
- By:
- Publication type:
- Article
Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics-Crystal orbital analysis.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 1, p. 121, doi. 10.1002/jcc.21605
- By:
- Publication type:
- Article
Molecular dynamics simulation in the grand canonical ensemble.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 10, p. 1763, doi. 10.1002/jcc.20689
- By:
- Publication type:
- Article
Deriving effective mesoscale potentials from atomistic simulations.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 13, p. 1624
- By:
- Publication type:
- Article
Automatic parameterization of force fields for liquids by simplex optimization.
- Published in:
- Journal of Computational Chemistry, 1999, v. 20, n. 10, p. 1009, doi. 10.1002/(SICI)1096-987X(19990730)20:10<1009::AID-JCC3>3.0.CO;2-C
- By:
- Publication type:
- Article
Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 1997, v. 18, n. 12, p. 1484, doi. 10.1002/(SICI)1096-987X(199709)18:12<1484::AID-JCC6>3.0.CO;2-F
- By:
- Publication type:
- Article
Azobenzene switch with a long-lived cis-state to photocontrol the enzyme activity of a histone deacetylase-like amidohydrolase.
- Published in:
- Biological Chemistry, 2014, v. 395, n. 4, p. 401, doi. 10.1515/hsz-2013-0246
- By:
- Publication type:
- Article
Molecular Dynamics with a Quantum-Chemical Potential: Solvent Effects on an S<sub>N</sub>2 Reaction at Nitrogen.
- Published in:
- Chemistry - A European Journal, 1996, v. 2, n. 2, p. 191, doi. 10.1002/chem.19960020211
- By:
- Publication type:
- Article
ORIENTATION CORRELATION IN SIMPLIFIED MODELS OF POLYMER MELTS.
- Published in:
- International Journal of Modern Physics C: Computational Physics & Physical Computation, 1999, v. 10, n. 2/3, p. 355, doi. 10.1142/S0129183199000267
- By:
- Publication type:
- Article
Properties of the BCl molecule studied by fourth-order many-body perturbation theory.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, p. 595, doi. 10.1002/qua.560320760
- By:
- Publication type:
- Article
Hydrophilicity and Lipophilicity of Cellulose Crystal Surfaces.
- Published in:
- Angewandte Chemie International Edition, 2001, v. 40, n. 20, p. 3822, doi. 10.1002/1521-3773(20011015)40:20<3822::AID-ANIE3822>3.0.CO;2-V
- By:
- Publication type:
- Article
The Photoisomerization of cis-Stilbene Does Not Follow the Minimum Energy Path.
- Published in:
- Angewandte Chemie International Edition, 1999, v. 38, n. 17, p. 2609, doi. 10.1002/(SICI)1521-3773(19990903)38:17<2609::AID-ANIE2609>3.0.CO;2-C
- By:
- Publication type:
- Article
How Good Are Coarse-Grained Polymer Models? A Comparison for Atactic Polystyrene.
- Published in:
- ChemPhysChem, 2012, v. 13, n. 15, p. 3428, doi. 10.1002/cphc.201200111
- By:
- Publication type:
- Article
A Molecular Dynamics Study of Viscosity in Ionic Liquids Directed by Quantitative Structure-Property Relationships.
- Published in:
- ChemPhysChem, 2012, v. 13, n. 7, p. 1791, doi. 10.1002/cphc.201200039
- By:
- Publication type:
- Article
Classical Reactive Molecular Dynamics Implementations: State of the Art.
- Published in:
- ChemPhysChem, 2012, v. 13, n. 5, p. 1127, doi. 10.1002/cphc.201100681
- By:
- Publication type:
- Article
Correlation between Dynamic Heterogeneity and Local Structure in a Room-Temperature Ionic Liquid: A Molecular Dynamics Study of [bmim][PF<sub>6</sub>].
- Published in:
- ChemPhysChem, 2010, v. 11, n. 9, p. 2001, doi. 10.1002/cphc.201000111
- By:
- Publication type:
- Article
Determining the Local Shear Viscosity of a Lipid Bilayer System by Reverse Non-Equilibrium Molecular Dynamics Simulations.
- Published in:
- ChemPhysChem, 2009, v. 10, n. 13, p. 2305, doi. 10.1002/cphc.200900156
- By:
- Publication type:
- Article
Molecular Dynamics Simulation of Water Near Nanostructured Hydrophobic Surfaces: Interfacial Energies.
- Published in:
- ChemPhysChem, 2005, v. 6, n. 8, p. 1641, doi. 10.1002/cphc.200500074
- By:
- Publication type:
- Article
Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back.
- Published in:
- ChemPhysChem, 2002, v. 3, n. 9, p. 754, doi. 10.1002/1439-7641(20020916)3:9<754::AID-CPHC754>3.0.CO;2-U
- By:
- Publication type:
- Article
Chain Stiffness Intensifies the Reptation Characteristics of Polymer Dynamics in the Melt.
- Published in:
- ChemPhysChem, 2001, v. 2, n. 3, p. 180, doi. 10.1002/1439-7641(20010316)2:3<180::AID-CPHC180>3.0.CO;2-Z
- By:
- Publication type:
- Article
Keine Angst vor der Entropie.
- Published in:
- Chemie in unserer Zeit, 2020, v. 54, n. 4, p. 250, doi. 10.1002/ciuz.201900060
- By:
- Publication type:
- Article
Elektronentheorie auf dem Smartphone.
- Published in:
- Chemie in unserer Zeit, 2017, v. 51, n. 1, p. 65, doi. 10.1002/ciuz.201600761
- By:
- Publication type:
- Article
Self‐Assembly Pathways of Triblock Janus Particles into 3D Open Lattices.
- Published in:
- Small, 2024, v. 20, n. 14, p. 1, doi. 10.1002/smll.202306337
- By:
- Publication type:
- Article
Understanding Humidity‐Enhanced Adhesion of Geckos: Deep Neural Network‐Assisted Multi‐Scale Molecular Modeling.
- Published in:
- Small, 2023, v. 19, n. 22, p. 1, doi. 10.1002/smll.202206085
- By:
- Publication type:
- Article
Gecko Adhesion on Flat and Rough Surfaces: Simulations with a Multi‐Scale Molecular Model.
- Published in:
- Small, 2022, v. 18, n. 35, p. 1, doi. 10.1002/smll.202201674
- By:
- Publication type:
- Article