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Publications
Proceedings
2009 Annual Meeting
Computational Molecular Science and Engineering Forum
Industrial Applications of Computational Chemistry and Molecular Simulation I
2009 Annual Meeting
Session: Industrial Applications of Computational Chemistry and Molecular Simulation I
Presentations
08:30 AM
(517a) Utilization of Molecular Simulations in Aerospace Materials: Simulation of Thermoset Resin/Graphite Interactions
08:48 AM
(517b) Biomolecular Transport and Adsorption in Porous Polymer Adsorbent Media
Enrico Riccardi, Athanasios I. Liapis
09:06 AM
(517c) Atomistic & Multiscale Modeling of PET
Qifei Wang, David J. Keffer, Simioan Petrovan, Brock Thomas
09:24 AM
(517d) Transferable Intermolecular Potentials for Carboxylic Acids and Their Phase Behavior
09:42 AM
(517e) Improved Conformational Sampling for Reaction Ensemble Monte Carlo Simulations
Thomas W. Rosch
10:00 AM
(517f) Computational Exploration of Metal Complexes for Stress-Strain Modulation
Berend Christopher Rinderspacher, Jan W. Andzelm, Robert H. Lambeth, Adam M. Rawlett
10:18 AM
(517g) Quantum Chemistry Simulation of the Condensed Phase Reactions of Bisglycinato Copper(II), Overturns Accepted Theory
10:36 AM
(517h) Calorimetric and Computational Study of the Heat of Reaction for Propylene Oxide Hydrolysis and Ozonolysis
Ayman D. Allian, Travis B. Dunn
