受强制性开放获取政策约束的文章 - Rachel B. Getman了解详情
可在其他位置公开访问的文章：39 篇
Sinter‐resistant platinum catalyst supported by metal–organic framework
IS Kim, Z Li, J Zheng, AE Platero‐Prats, A Mavrandonakis, S Pellizzeri, ...
Angewandte Chemie International Edition 57 (4), 909-913, 2018
强制性开放获取政策： US Department of Energy
Machine learning accelerates the discovery of design rules and exceptions in stable metal–oxo intermediate formation
A Nandy, J Zhu, JP Janet, C Duan, RB Getman, HJ Kulik
Acs Catalysis 9 (9), 8243-8255, 2019
强制性开放获取政策： US National Science Foundation, US Department of Energy
Optimizing open iron sites in metal–organic frameworks for ethane oxidation: a first-principles study
P Liao, RB Getman, RQ Snurr
ACS applied materials & interfaces 9 (39), 33484-33492, 2017
强制性开放获取政策： US Department of Energy
Free energies of catalytic species adsorbed to Pt (111) surfaces under liquid solvent calculated using classical and quantum approaches
X Zhang, RS DeFever, S Sarupria, RB Getman
Journal of chemical information and modeling 59 (5), 2190-2198, 2019
强制性开放获取政策： US National Science Foundation
Molecular-Level Details about Liquid H2O Interactions with CO and Sugar Alcohol Adsorbates on Pt(111) Calculated Using Density Functional Theory and …
CJ Bodenschatz, S Sarupria, RB Getman
The Journal of Physical Chemistry C 119 (24), 13642-13651, 2015
强制性开放获取政策： US National Aeronautics and Space Administration
On the water structure at hydrophobic interfaces and the roles of water on transition-metal catalyzed reactions: A short review
X Zhang, TE Sewell, B Glatz, S Sarupria, RB Getman
Catalysis Today 285, 57-64, 2017
强制性开放获取政策： US National Science Foundation
Insights into the roles of water on the aqueous phase reforming of glycerol
T Xie, CJ Bodenschatz, RB Getman
Reaction Chemistry & Engineering 4 (2), 383-392, 2019
强制性开放获取政策： US National Science Foundation, US National Aeronautics and Space Administration
Site densities, rates, and mechanism of stable Ni/UiO-66 ethylene oligomerization catalysts
B Yeh, SP Vicchio, S Chheda, J Zheng, J Schmid, L Lobbert, ...
Journal of the American Chemical Society 143 (48), 20274-20280, 2021
强制性开放获取政策： US National Science Foundation, US Department of Energy
A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt (1 1 1): comparing chemical accuracy versus computational expense in different methods for calculating …
T Xie, S Sarupria, RB Getman
Molecular Simulation 43 (5-6), 370-378, 2017
强制性开放获取政策： US National Science Foundation
Impact of Hydrogen Bonds on CO2 Binding in Eutectic Solvents: An Experimental and Computational Study toward Sorbent Design for CO2 Capture
A Klemm, SP Vicchio, S Bhattacharjee, E Cagli, Y Park, M Zeeshan, ...
ACS Sustainable Chemistry & Engineering 11 (9), 3740-3749, 2023
强制性开放获取政策： US Department of Energy
Synthetic access to a framework-stabilized and fully sulfided analogue of an Anderson polyoxometalate that is catalytically competent for reduction reactions
J Duan, H Shabbir, Z Chen, W Bi, Q Liu, J Sui, L Đorđević, SI Stupp, ...
Journal of the American Chemical Society 145 (13), 7268-7277, 2023
强制性开放获取政策： US National Science Foundation, US Department of Energy, 国家自然科学基金委员会
A Method for Obtaining Liquid–Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in H2O
X Zhang, A Savara, RB Getman
Journal of chemical theory and computation 16 (4), 2680-2691, 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy
Direct air capture of CO2: from insights into the current and emerging approaches to future opportunities
M Zeeshan, MK Kidder, E Pentzer, RB Getman, B Gurkan
Frontiers in Sustainability 4, 1167713, 2023
强制性开放获取政策： US Department of Energy
A modelling approach for MOF-encapsulated metal catalysts and application to n-butane oxidation
DA Gomez-Gualdron, ST Dix, RB Getman, RQ Snurr
Physical Chemistry Chemical Physics 17 (41), 27596-27608, 2015
强制性开放获取政策： US Department of Energy
Simulations of interfacial processes: recent advances in force field development
S Dasetty, PJ Meza-Morales, RB Getman, S Sarupria
Current Opinion in Chemical Engineering 23, 138-145, 2019
强制性开放获取政策： US Department of Defense
Insights into how the aqueous environment influences the kinetics and mechanisms of heterogeneously-catalyzed COH* and CH 3 OH* dehydrogenation reactions on Pt (111)
CJ Bodenschatz, T Xie, X Zhang, RB Getman
Physical Chemistry Chemical Physics 21 (19), 9895-9904, 2019
强制性开放获取政策： US National Science Foundation, US National Aeronautics and Space Administration
Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
S Pellizzeri, M Barona, V Bernales, P Miró, P Liao, L Gagliardi, RQ Snurr, ...
Catalysis Today 312, 149-157, 2018
强制性开放获取政策： US Department of Energy
Identification of the Active Sites in the Dehydrogenation of Methanol on Pt/Al2O3 Catalysts
T Xie, BJ Hare, PJ Meza-Morales, C Sievers, RB Getman
The Journal of Physical Chemistry C 124 (35), 19015-19023, 2020
强制性开放获取政策： US National Science Foundation
Using degrees of rate control to improve selective n-butane oxidation over model MOF-encapsulated catalysts: sterically-constrained Ag 3 Pd (111)
ST Dix, JK Scott, RB Getman, CT Campbell
Faraday discussions 188, 21-38, 2016
强制性开放获取政策： US National Science Foundation, US Department of Energy
Active sites and effects of co-adsorbed H2O on isolated methanol dehydrogenation over Pt/γ-Al2O3
BJ Hare, RAG Carcamo, T Xie, PJ Meza-Morales, RB Getman, C Sievers
Journal of Catalysis 402, 218-228, 2021
强制性开放获取政策： US National Science Foundation
出版信息和资助信息由计算机程序自动确定