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Journal of Chemical Theory and Computation|December 3, 2015
Oxidative Addition of the Chloromethane C-Cl Bond to Pd, an ab Initio Benchmark and DFT Validation StudyG Theodoor de Jong, F Matthias BickelhauptJournal of Chemical Theory and Computation|December 3, 2015
Conformational Studies of PolyprolinesHaizhen Zhong, Heather A CarlsonJournal of Chemical Theory and Computation|December 3, 2015
Quantum-Chemical Design of Cryptand-like Ditopic Salt BindersSiân T Howard, David E Hibbs, Angelo J Amoroso, et al.Journal of Chemical Theory and Computation|December 3, 2015
Lattice-Boltzmann Simulations of Ionic Current Modulation by DNA TranslocationSylvain Reboux, Fabrizio Capuani, Daan FrenkelJournal of Chemical Theory and Computation|December 3, 2015
A Local Galilean Invariant ThermostatRobert D GrootJournal of Chemical Theory and Computation|December 3, 2015
Adsorption and Dynamics of a Single Polyelectrolyte Chain near a Planar Charged Surface: Molecular Dynamics Simulations with Explicit SolventGovardhan Reddy, Rakwoo Chang, Arun YethirajJournal of Chemical Theory and Computation|December 3, 2015
Multiscale Coarse-Graining of Mixed Phospholipid/Cholesterol BilayersSergei Izvekov, Gregory A VothJournal of Chemical Theory and Computation|December 3, 2015
Protein Structure Prediction: The Next GenerationMichael C Prentiss, Corey Hardin, Michael P Eastwood, et al.Journal of Chemical Theory and Computation|December 3, 2015
Cation-π Interactions in Serotonin: Conformational, Electronic Distribution, and Energy Decomposition AnalysisJaturong Pratuangdejkul, Pascale Jaudon, Claire Ducrocq, et al.Journal of Chemical Theory and Computation|December 3, 2015
Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOMThom Vreven, K Suzie Byun, István Komáromi, et al.Pageof 1,126