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Proceedings of the National Academy of Sciences of the United States of America|October 30, 2019
Optimal functionalization of a molecular electrocatalyst for hydride transferShenzhen Xu, Emily A CarterPhysical Chemistry Chemical Physics : PCCP|July 16, 2011
Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (α-Fe2O3) as a benchmarkPeilin Liao, Emily A CarterJournal of the American Chemical Society|June 1, 2019
Balancing Competing Reactions in Hydride Transfer Catalysis via Catalyst Surface Doping: The Ionization Energy DescriptorShenzhen Xu, Emily A CarterAnnual Review of Physical Chemistry|November 23, 2007
Advances in correlated electronic structure methods for solids, surfaces, and nanostructuresPatrick Huang, Emily A CarterNano Letters|March 25, 2008
Ab initio explanation of tunneling line shapes for the kondo impurity statePatrick Huang, Emily A CarterPhysical Chemistry Chemical Physics : PCCP|June 24, 2015
First-principles assessment of hole transport in pure and Li-doped NiONima Alidoust, Emily A CarterThe Journal of Chemical Physics|May 28, 2005
First principles local pseudopotential for silver: towards orbital-free density-functional theory for transition metalsBaojing Zhou, Emily A CarterJournal of the American Chemical Society|June 28, 2019
Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 MonolayersLesheng Li, Emily A CarterJournal of the American Chemical Society|September 30, 2015
What Is the Role of Pyridinium in Pyridine-Catalyzed CO2 Reduction on p-GaP Photocathodes?Martina Lessio, Emily A CarterProceedings of the National Academy of Sciences of the United States of America|December 6, 2017
Extending density functional embedding theory for covalently bonded systemsKuang Yu, Emily A CarterPageof 334