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Journal of Chemical Theory and Computation|April 4, 2022
A Task-Based Approach to Parallel Restricted Hartree-Fock CalculationsDavid Poole, Jorge L Galvez Vallejo, Mark S GordonJournal of the American Chemical Society|May 23, 2002
Structure and thermodynamics of carbon and carbon/silicon precursors to nanostructuresVassiliki-Alexandra Glezakou, Jerry A Boatz, Mark S GordonThe Journal of Physical Chemistry. B|June 15, 2006
Electronic structure studies of tetrazolium-based ionic liquidsDeborah D Zorn, Jerry A Boatz, Mark S GordonThe Journal of Physical Chemistry. A|June 14, 2013
Solvent induced shifts in the UV spectrum of amidesNuwan De Silva, Soohaeng Y Willow, Mark S GordonJournal of Computational Chemistry|October 29, 2018
Application of a semi-empirical dispersion correction for modeling water clustersNuwan De Silva, Matthew A Adreance, Mark S GordonThe Journal of Physical Chemistry. A|April 25, 2012
Geometry optimizations of open-shell systems with the fragment molecular orbital methodSpencer R Pruitt, Dmitri G Fedorov, Mark S GordonThe Journal of Physical Chemistry. A|August 22, 2018
Proton Transfer in 1,2,4-Triazolium Dinitramide: Effect of Aqueous MicrosolvationJustin A Conrad, Spencer R Pruitt, Mark S GordonJournal of Chemical Theory and Computation|November 19, 2015
Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon PhiSarom S Leang, Alistair P Rendell, Mark S GordonJournal of Chemical Theory and Computation|July 9, 2020
A New Kid on the Block: Application of Julia to Hartree-Fock CalculationsDavid Poole, Jorge L Galvez Vallejo, Mark S GordonThe Journal of Physical Chemistry. A|October 4, 2024
The Degradation of the 2-Hydroxyethylhydrazinium Nitrate Ionic Liquid SystemGeorge M Elliott, Jerry A Boatz, Mark S GordonPageof 25