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1. Full Text Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions
by Wang, Shengguang and Wang, Shengguang and Temel, Burcin and Temel, Burcin and Shen, Juan and Shen, Juan and Jones, Glenn and Jones, Glenn and Grabow, Lars C and Grabow, Lars C and Studt, Felix and Studt, Felix and Bligaard, Thomas and Bligaard, Thomas and Abild-Pedersen, Frank and Abild-Pedersen, Frank and Christensen, Claus H and Christensen, Claus H and Nørskov, Jens K and Nørskov, Jens K and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Catalysis letters, ISSN 1011-372X, 3/2011, Volume 141, Issue 3, pp. 370 - 373
Chemistry | Bond breaking reactions | Coupling reactions | Physical Chemistry | Organometallic Chemistry | Density functional theory | Catalysis | Industrial Chemistry/Chemical Engineering | Stepped surfaces | BEP relations | Scaling relations | Physical Sciences | Chemistry, Physical | Science & Technology | General and physical chemistry | Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry | Exact sciences and technology | Cytokinins | Dissociation | Metal surfaces | Transition metals | CHEM, COMP | CHEMICAL BONDS | OXYGEN COMPOUNDS | CHEMICAL REACTION KINETICS | DISSOCIATION | DENSITY FUNCTIONAL METHOD | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | NITROGEN COMPOUNDS | CARBON COMPOUNDS | TRANSITION ELEMENT COMPOUNDS
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2. Full Text The critical role of water at the gold-titania interface in catalytic CO oxidation
by Johnny Saavedra and Hieu A. Doan and Christopher J. Pursell and Lars C. Grabow and Bert D. Chandler
Science (American Association for the Advancement of Science), ISSN 0036-8075, 9/2014, Volume 345, Issue 6204, pp. 1599 - 1602
REPORTS | Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Gold | Chemical research | Titanium | Oxidation-reduction reaction | Research | Carbon monoxide | Chemical properties | Catalysis | Chemical reactions | Catalytic oxidation | Catalysts | Infrared spectroscopy | Reaction kinetics | Activation | Oxidation | Titanium dioxide | Cobalt
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3. Full Text Catalytic Encounters at the Molecular Level: Gabor A. Somorjai Award Symposium for Creative Research in Catalysis in Honor of Professor Manos Mavrikakis
by Xu, Ye and Grabow, Lars C
Topics in catalysis, ISSN 1022-5528, 08/2020, Volume 63, Issue 7-8, pp. 617 - 617
Physical Sciences | Chemistry | Chemistry, Physical | Chemistry, Applied | Science & Technology | Catalysis
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4. Full Text Vertically Aligned MoS2/Mo2C hybrid Nanosheets Grown on Carbon Paper for Efficient Electrocatalytic Hydrogen Evolution
by Zhao, Zhenhuan and Qin, Fan and Kasiraju, Sashank and Xie, Lixin and Alam, Md Kamrul and Chen, Shuo and Wang, Dezhi and Ren, Zhifeng and Wang, Zhiming and Grabow, Lars C and Bao, Jiming and Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
ACS catalysis, ISSN 2155-5435, 10/2017, Volume 7, Issue 10, pp. 7312 - 7318
Mo-S-C motifs | C nanodomains | Hybrid nanostructure | Hydrogen evolution reaction | Vertical MoS | Carburization | nanosheets | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | Mo2C nanodomains | vertical MoS2 nanosheets | hybrid nanostructure | hydrogen evolution reaction | Mo−S−C motifs | carburization
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5. Full Text Activity Trends for Catalytic CO and NO Co-Oxidation at Low Temperature Diesel Emission Conditions
by Song, Yuying and Grabow, Lars C and Univ. of California, Oakland, CA (United States) and Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Industrial & engineering chemistry research, ISSN 0888-5885, 09/2018, Volume 57, Issue 38, pp. 12715 - 12725
Engineering | Engineering, Chemical | Technology | Science & Technology | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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6. Full Text Quantification and Statistical Analysis of Errors Related to the Approximate Description of Active Site Models in Metal‐Exchanged Zeolites
by Thirumalai, Hari and Rimer, Jeffrey D and Grabow, Lars C
ChemCatChem, ISSN 1867-3880, 10/2019, Volume 11, Issue 20, pp. 5055 - 5067
methane activation | zeolite | uncertainty quantification | metal-exchange | density functional theory | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Methane | Usage | Specific gravity | Analysis | Density functionals | Models | Zeolites | Exchanging | Lewis acid | Error analysis | Statistical analysis | Hydrocarbons | Activation | Conversion | Crystallography | Catalytic converters | Hydrogen bonds | Density functional theory | Cleavage | Coordination compounds
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7. Full Text Water-Mediated Proton Hopping on an Iron Oxide Surface
by Lindsay R. Merte and Guowen Peng and Ralf Bechstein and Felix Rieboldt and Carrie A. Farberow and Lars C. Grabow and Wilhelmine Kudernatsch and Stefan Wendt and Erik Lægsgaard and Manos Mavrikakis and Flemming Besenbacher
Science (American Association for the Advancement of Science), ISSN 0036-8075, 5/2012, Volume 336, Issue 6083, pp. 889 - 893
Protons | Thin films | Molecules | Molecular structure | Hydrogen | REPORTS | Materials | Atoms | Lewis acids | Oxides | Water temperature | Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Diffusion; interface formation | Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) | Solid surfaces and solid-solid interfaces | Physics | Exact sciences and technology | Condensed matter: structure, mechanical and thermal properties | Scanning tunneling microscopy | Composition | Atomic properties | Chemical properties | Dielectric films | Research | Iron oxides | Diffusion | Identification and classification | Methods | Water | Catalysts | Chemical compounds | Metal oxides | Mathematical analysis | Monolayers | High speed | Density | Density functional theory | Hydrogen atoms
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8. Full Text Computational Assessment of the Dominant Factors Governing the Mechanism of Methanol Dehydration over H‑ZSM‑5 with Heterogeneous Aluminum Distribution
by Ghorbanpour, Arian and Rimer, Jeffrey D and Grabow, Lars C
ACS catalysis, ISSN 2155-5435, 04/2016, Volume 6, Issue 4, pp. 2287 - 2298
pore confinement | Al siting | DFT | methanol-to-DME | acid strength | ZSM-5 | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology
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9. Full Text Linking low and high temperature NO oxidation mechanisms over Brønsted acidic chabazite to dynamic changes of the active site
by Salavati-fard, Taha and Lobo, Raul F and Grabow, Lars C
Journal of catalysis, ISSN 0021-9517, 09/2020, Volume 389, Issue C, pp. 195 - 206
Temperature dependence | Dynamic response of active site | Density functional theory | Zeolite | NO Oxidation | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Physical | Science & Technology
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10. Full Text Interlayer-Expanded Molybdenum Disulfide Nanocomposites for Electrochemical Magnesium Storage
by Liang, Yanliang and Yoo, Hyun Deog and Li, Yifei and Shuai, Jing and Calderon, Hector A and Robles Hernandez, Francisco Carlos and Grabow, Lars C and Yao, Yan
Nano letters, ISSN 1530-6984, 03/2015, Volume 15, Issue 3, pp. 2194 - 2202
diffusion kinetics | Magnesium rechargeable batteries | molybdenum disulfide | intercalation materials | nanocomposites | Materials Science | Materials Science, Multidisciplinary | Physics, Condensed Matter | Science & Technology - Other Topics | Chemistry, Physical | Physics | Science & Technology | Physics, Applied | Physical Sciences | Chemistry | Nanoscience & Nanotechnology | Technology | Chemistry, Multidisciplinary | Interlayers | Diffusion rate | Molybdenum disulfide | Lattices | Magnesium | Diffusion | Intercalation | Rechargeable batteries
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11. Full Text Epitaxial growth of ZSM-5@Silicalite-1: A core-shell zeolite designed with passivated surface acidity
by Ghorbanpour, Arian and Gumidyala, Abhishek and Grabow, Lars C and Crossley, Steven P and Rimer, Jeffrey D
ACS nano, ISSN 1936-0851, 04/2015, Volume 9, Issue 4, pp. 4006 - 4016
MFI | passivation | zeolite | heterogeneous catalysis | epitaxy | core-shell | Physical Sciences | Chemistry | Materials Science | Nanoscience & Nanotechnology | Technology | Materials Science, Multidisciplinary | Science & Technology - Other Topics | Chemistry, Multidisciplinary | Chemistry, Physical | Science & Technology
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12. Full Text Extendable Machine Learning Model for the Stability of Single Atom Alloys
by Rao, Karun K and Do, Quan K and Pham, Khoa and Maiti, Debtanu and Grabow, Lars C
Topics in catalysis, ISSN 1022-5528, 08/2020, Volume 63, Issue 7-8, pp. 728 - 741
Physical Sciences | Chemistry | Chemistry, Physical | Chemistry, Applied | Science & Technology | Stability | Alloy development | Aluminum | Atomic properties | Support vector machines | Algorithms | Metal surfaces | Neural networks | Machine learning | Chemical bonds | Density functional theory | Dimers | Decision trees | Configurations
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