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Journal of Chemical Theory and Computation|November 20, 2019
Iterative Unbiasing of Quasi-Equilibrium SamplingF Giberti, B Cheng, G A Tribello, et al.Journal of Chemical Theory and Computation|November 20, 2019
Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing GroundChristoph Schran, Jörg Behler, Dominik MarxJournal of Chemical Theory and Computation|November 27, 2019
Absolutely Localized Projection-Based Embedding for Excited StatesXuelan Wen, Daniel S Graham, Dhabih V Chulhai, et al.Journal of Chemical Theory and Computation|November 19, 2019
Hybrid Kinetic Monte Carlo/Molecular Dynamics Simulations of Bond Scissions in ProteinsBenedikt Rennekamp, Fabian Kutzki, Agnieszka Obarska-Kosinska, et al.Journal of Chemical Theory and Computation|November 23, 2019
Maximum Entropy Optimized Force Field for Intrinsically Disordered ProteinsAndrew P Latham, Bin ZhangJournal of Chemical Theory and Computation|November 26, 2019
Improved Cation Binding to Lipid Bilayers with Negatively Charged POPS by Effective Inclusion of Electronic PolarizationJosef Melcr, Tiago M Ferreira, Pavel Jungwirth, et al.Journal of Chemical Theory and Computation|November 26, 2019
Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum ChemistryKuan-Yu Liu, John M HerbertJournal of Chemical Theory and Computation|October 30, 2019
Second-Order Perturbation Theory with Spin-Symmetry-Projected Hartree-FockTakashi Tsuchimochi, Seiichiro L Ten-NoJournal of Chemical Theory and Computation|November 13, 2019
Resonant X-ray Sum-Frequency-Generation Spectroscopy of K-Edges in Acetyl FluorideAdam Bruner, Stefano M Cavaletto, Niranjan Govind, et al.Journal of Chemical Theory and Computation|November 29, 2017
Jacob's Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface PropertiesLorena Vega, Judit Ruvireta, Francesc Viñes, et al.Pageof 1,126