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The Journal of Chemical Physics|July 3, 2015
A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic moleculesFabien Bruneval, Samia M Hamed, Jeffrey B Neaton
The Journal of Chemical Physics|March 18, 2014
Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: the CO2-benzene complexJonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
The European Physical Journal. E, Soft Matter|March 11, 2004
Pressure amorphization through displacive disorderM H Cohen, J Iñiguez, J B Neaton
Clinical Trials (London, England)|April 26, 2007
A decision rule for sequential monitoring of clinical trials with a primary and supportive outcomeYanli Zhao, Patricia M Grambsch, James D Neaton
The Journal of Chemical Physics|July 16, 2021
A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methodsChenchen Song, Todd J Martínez, Jeffrey B Neaton
The Journal of Chemical Physics|June 24, 2017
Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-CJonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
Wilderness & Environmental Medicine|December 14, 2022
Evaluation of Safety Measures at a Medical Summer Camp During the SARS-CoV-2 PandemicKristy Wilkinson, Ashar Ata, Stephanie Neaton, et al.
The Journal of Chemical Physics|April 23, 2022
An assessment of density functionals for predicting CO<sub>2</sub> adsorption in diamine-functionalized metal-organic frameworksJung-Hoon Lee, Per Hyldgaard, Jeffrey B Neaton
Journal of Chemical Theory and Computation|December 23, 2025
Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function DecompositionZui Tao, Jonah B Haber, Jeffrey B Neaton
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