Showing results (161-170 of 241) with videos related to
Sort By:
Pageof 25
The Journal of Physical Chemistry. A|May 7, 2014
Adenine formation without HCNKenneth M Merz, Eduardo C Aguiar, Joao Bosco P da SilvaChemical Reviews|May 12, 2021
Quantum Chemistry Calculations for MetabolomicsRicardo M Borges, Sean M Colby, Susanta Das, et al.The Journal of Physical Chemistry Letters|October 11, 2012
An Efficient Method to Evaluate Intermolecular Interaction Energies in Large Systems Using Overlapping Multicenter ONIOM and the Fragment Molecular Orbital MethodNaoya Asada, Dmitri G Fedorov, Kazuo Kitaura, et al.The Journal of Chemical Physics|July 23, 2004
Fast semiempirical calculations for nuclear magnetic resonance chemical shifts: a divide-and-conquer approachBing Wang, Edward N Brothers, Arjan van der Vaart, et al.Journal of the American Chemical Society|June 8, 2012
Wide-open flaps are key to urease activityBenjamin P Roberts, Bill R Miller, Adrian E Roitberg, et al.Journal of Chemical Theory and Computation|June 9, 2020
Parallel Implementation of Density Functional Theory Methods in the Quantum Interaction Computational Kernel ProgramMadushanka Manathunga, Yipu Miao, Dawei Mu, et al.Journal of Chemical Theory and Computation|December 8, 2015
Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density FunctionalKevin E Riley, Edward N Brothers, Kenneth B Ayers, et al.Journal of Chemical Information and Modeling|February 4, 2021
Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water ModelsArkajyoti Sengupta, Zhen Li, Lin Frank Song, et al.Journal of Chemical Theory and Computation|May 20, 2014
Molecular Dynamics Study of Helicobacter pylori UreaseMona S Minkara, Melek N Ucisik, Michael N Weaver, et al.Journal of Chemical Information and Modeling|March 6, 2026
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU ImplementationVikrant Tripathy, Etienne Palos, Kenneth M Merz, et al.Pageof 25