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The Journal of Physical Chemistry. B|June 20, 2018
The Role of Water in the Stability of Wild-type and Mutant Insulin DimersShampa Raghunathan, Krystel El Hage, Jasmine L Desmond, et al.The Journal of Physical Chemistry. A|October 19, 2022
Combining Machine Learning and Spectroscopy to Model Reactive Atom + Diatom CollisionsJuan Carlos San Vicente Veliz, Julian Arnold, Raymond J Bemish, et al.Nature Communications|November 30, 2019
Long-range versus short-range effects in cold molecular ion-neutral collisionsAlexander D Dörfler, Pascal Eberle, Debasish Koner, et al.Journal of Computational Chemistry|December 30, 2014
Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulationsTodor Dudev, Mike Devereux, Markus Meuwly, et al.The Journal of Physical Chemistry. A|July 24, 2020
Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom CollisionsJulian Arnold, Debasish Koner, Silvan Käser, et al.Journal of Chemical Information and Modeling|December 6, 2013
Deriving static atomic multipoles from the electrostatic potentialChristian Kramer, Tristan Bereau, Alexander Spinn, et al.The Journal of Physical Chemistry. A|November 4, 2011
Temperature dependence of the heat diffusivity of proteinsJan Helbing, Michael Devereux, Karin Nienhaus, et al.Physical Chemistry Chemical Physics : PCCP|November 12, 2019
Near dissociation states for H2+-He on MRCI and FCI potential energy surfacesDebasish Koner, Juan Carlos San Vicente Veliz, Ad van der Avoird, et al.The Journal of Physical Chemistry. A|September 24, 2020
Machine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNetSilvan Käser, Debasish Koner, Anders S Christensen, et al.The Journal of Physical Chemistry. B|December 2, 2015
Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics SimulationsHaiyun Jin, Puja Goyal, Akshaya Kumar Das, et al.Pageof 26