受强制性开放获取政策约束的文章 - John A. Keith了解详情
无法在其他位置公开访问的文章：8 篇
Theoretical Investigations of the Oxygen Reduction Reaction on Pt (111)
JA Keith, G Jerkiewicz, T Jacob
ChemPhysChem 11 (13), 2779-2794, 2010
强制性开放获取政策： German Research Foundation
Theoretical elucidation of the competitive electro-oxidation mechanisms of formic acid on Pt (111)
W Gao, JA Keith, J Anton, T Jacob
Journal of the American Chemical Society 132 (51), 18377-18385, 2010
强制性开放获取政策： German Research Foundation
Oxygen transport in perovskite-type solid oxide fuel cell materials: insights from quantum mechanics
AB Muñoz-García, AM Ritzmann, M Pavone, JA Keith, EA Carter
Accounts of chemical research 47 (11), 3340-3348, 2014
强制性开放获取政策： US Department of Energy
Reactive forcefield for simulating gold surfaces and nanoparticles
JA Keith, D Fantauzzi, T Jacob, ACT van Duin
Physical Review B 81 (23), 235404, 2010
强制性开放获取政策： German Research Foundation
Regioselective de novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism
JY Lu, JA Keith, WZ Shen, M Schürmann, H Preut, T Jacob, HD Arndt
Journal of the American Chemical Society 130 (40), 13219-13221, 2008
强制性开放获取政策： German Research Foundation
Theoretical studies of Pd metal deposition on the√ 3×√ 3 4-mercaptopyridine self-assembled monolayer
JA Keith, T Jacob
Electrochimica acta 55 (27), 8258-8262, 2010
强制性开放获取政策： German Research Foundation
Atomic‐Level Elucidation of the Initial Stages of Self‐Assembled Monolayer Metallization and Nanoparticle Formation
JA Keith, T Jacob
Chemistry–A European Journal 16 (41), 12381-12386, 2010
强制性开放获取政策： German Research Foundation
Galvanic corrosion of AA7075-T6 caused by doped titanium oxides in a controlled atmospheric environment
S Policastro, R Anderson, C Hangarter, DJ Horton, JA Keith, ...
Ecs Transactions 80 (10), 527, 2017
强制性开放获取政策： US Department of Defense
可在其他位置公开访问的文章：36 篇
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
JA Keith, V Vassilev-Galindo, B Cheng, S Chmiela, M Gastegger, ...
Chemical Reviews 121 (16), 9816-9872, 2021
强制性开放获取政策： US National Science Foundation, Swiss National Science Foundation, German …
Using nature’s blueprint to expand catalysis with Earth-abundant metals
RM Bullock, JG Chen, L Gagliardi, PJ Chirik, OK Farha, CH Hendon, ...
Science 369 (6505), eabc3183, 2020
强制性开放获取政策： US Department of Energy, US National Institutes of Health
The reaction mechanism of the enantioselective Tsuji allylation: inner-sphere and outer-sphere pathways, internal rearrangements, and asymmetric C–C bond formation
JA Keith, DC Behenna, N Sherden, JT Mohr, S Ma, SC Marinescu, ...
Journal of the American Chemical Society 134 (46), 19050-19060, 2012
强制性开放获取政策： US National Institutes of Health
Free Standing Nanoporous Palladium Alloys as CO Poisoning Tolerant Electrocatalysts for the Electrochemical Reduction of CO2 to Formate
S Chatterjee, C Griego, JL Hart, Y Li, ML Taheri, J Keith, JD Snyder
ACS CATALYSIS 9 (6), 5290-5301, 2019
强制性开放获取政策： US National Science Foundation
Neural network and ReaxFF comparison for Au properties
JR Boes, MC Groenenboom, JA Keith, JR Kitchin
International Journal of Quantum Chemistry 116 (13), 979-987, 2016
强制性开放获取政策： US National Science Foundation
A sobering assessment of small‐molecule force field methods for low energy conformer predictions
IY Kanal, JA Keith, GR Hutchison
International Journal of Quantum Chemistry 118 (5), e25512, 2018
强制性开放获取政策： US National Science Foundation
Thermodynamic hydricities of biomimetic organic hydride donors
S Ilic, U Pandey Kadel, Y Basdogan, JA Keith, KD Glusac
Journal of the American Chemical Society 140 (13), 4569-4579, 2018
强制性开放获取政策： US National Science Foundation, US Department of Energy
Quantifying solvation energies at solid/liquid interfaces using continuum solvation methods
CM Gray, K Saravanan, G Wang, JA Keith
Molecular Simulation 43 (5-6), 420-427, 2017
强制性开放获取政策： US National Science Foundation, US Department of Defense
Alchemical predictions for computational catalysis: Potential and limitations
K Saravanan, JR Kitchin, OA Von Lilienfeld, JA Keith
The Journal of Physical Chemistry Letters 8 (20), 5002-5007, 2017
强制性开放获取政策： Swiss National Science Foundation
Oxidation of formic acid on the Pt (111) surface in the gas phase
W Gao, JA Keith, J Anton, T Jacob
Dalton Trans. 39 (36), 8450-8456, 2010
强制性开放获取政策： German Research Foundation
Experimental and Computational Study of a Direct O2-Coupled Wacker Oxidation: Water Dependence in the Absence of Cu Salts
BJ Anderson, JA Keith, MS Sigman
Journal of the American Chemical Society, 2010
强制性开放获取政策： US National Institutes of Health
Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals
Y Basdogan, AM Maldonado, JA Keith
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1446, 2020
强制性开放获取政策： US National Science Foundation
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