Showing results (511-520 of 11,259) with videos related to
Sort By:
Pageof 1,126
Journal of Chemical Theory and Computation|March 16, 2018
Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical ModelMatthew P Kroonblawd, Fabio Pietrucci, Antonino Marco Saitta, et al.Journal of Chemical Theory and Computation|March 17, 2018
A Well-Tempered Hybrid Method for Solving Challenging Time-Dependent Density Functional Theory (TDDFT) SystemsJoseph M Kasper, David B Williams-Young, Eugene Vecharynski, et al.Journal of Chemical Theory and Computation|February 27, 2018
T3NS: Three-Legged Tree Tensor Network StatesKlaas Gunst, Frank Verstraete, Sebastian Wouters, et al.Journal of Chemical Theory and Computation|February 27, 2018
Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?Hung Q Pham, Varinia Bernales, Laura GagliardiJournal of Chemical Theory and Computation|February 28, 2018
Coarse-Grained Modeling of the Interplay between Secondary Structure Propensities and Protein Fold AssemblyAleksandra E Dawid, Dominik Gront, Andrzej KolinskiJournal of Chemical Theory and Computation|February 28, 2018
Automatic Selection of an Active Space for Calculating Electronic Excitation Spectra by MS-CASPT2 or MC-PDFTJie J Bao, Sijia S Dong, Laura Gagliardi, et al.Journal of Chemical Theory and Computation|January 3, 2018
Ab Initio Prediction of NMR Spin Relaxation Parameters from Molecular Dynamics SimulationsPo-Chia Chen, Maggy Hologne, Olivier Walker, et al.Journal of Chemical Theory and Computation|December 1, 2018
New Hybrid Method for the Calculation of the Solvation Free Energy of Small Molecules in Aqueous SolutionsWenkun Wu, John KiefferJournal of Chemical Theory and Computation|December 1, 2018
Orbital-Optimized Distinguishable Cluster Theory with Explicit CorrelationDaniel Kats, David P TewJournal of Chemical Theory and Computation|March 22, 2018
Effects of Protein-Induced Local Bending and Sequence Dependence on the Configurations of Supercoiled DNA MinicirclesYoav Y BitonPageof 1,126