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by Cao Yin
China Daily, ISSN 0253-9543, 10/2019
Newspaper Article
01/2019
The invention discloses a silicon carbide-reinforced aluminum-based composite material for electronic packaging. The composite material is prepared from... 
METALLURGY | ALLOYS | CHEMISTRY | TREATMENT OF ALLOYS OR NON-FERROUS METALS | FERROUS OR NON-FERROUS ALLOYS
Patent
Molecular Catalysis, ISSN 2468-8231, 10/2017, Volume 439, pp. 155 - 162
Journal Article
Molecular Catalysis, ISSN 2468-8231, 10/2017, Volume 439, pp. 155 - 162
Potential energy surfaces for the carboxyl mechanism of RWGS reaction promoted by Mo S -Pd. We studied the mechanism of the reverse water gas shift reaction... 
Reaction mechanism | Ethanol formation | TOF | RWGS reaction | Mo6S8-TM clusters | TM clusters | METHANOL SYNTHESIS | FORMIC-ACID | HYDROCARBONS | CONVERSION | DECOMPOSITION | CHEMISTRY, PHYSICAL | MODEL | REDUCTION | CO2 HYDROGENATION | CARBON-DIOXIDE
Journal Article
Journal of Cluster Science, ISSN 1040-7278, 9/2017, Volume 28, Issue 5, pp. 2433 - 2448
Four different mechanistic pathways for Mo(CO)6 and a reaction mechanism for the binuclear species Mo2(CO)10 catalyzed water–gas shift reaction (WGSR) have... 
Chemistry | Mechanisms | Physical Chemistry | Mo(CO) 6 | Density functional theory | Mo 2 (CO) 10 | Catalysis | Inorganic Chemistry | Nanochemistry | Mo(CO) | CO
Journal Article
Journal of Cluster Science, ISSN 1040-7278, 09/2017, Volume 28, Issue 5, p. 2433
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1007/s10876-017-1231-z 
Modernism (Art) | Art, Modern | Analysis | Density functionals
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 04/2017, Volume 1105, pp. 1 - 13
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 04/2017, Volume 1105, p. 1
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 4/2017, Volume 136, Issue 4, pp. 1 - 11
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 04/2017, Volume 1105, pp. 1 - 13
Preferential oxidation of CO (PROX) is an important reaction for removing CO to a parts-per-million level from the hydrogen-rich stream. Recent experimental... 
Mechanical properties | Catalytic properties | CunTM nanostructures | PROX | TM nanostructures
Journal Article
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), ISSN 1432-881X, 03/2017, Volume 136, Issue 3, p. 1
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1007/s00214-017-2062-6 The CO... 
Hydroxides | Specific gravity | Hydrogen | Analysis | Density functionals | Oxidation-reduction reaction
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 3/2017, Volume 136, Issue 3, pp. 1 - 11
The CO preferential oxidation (CO-PROX) reaction is the simplest and most cost-effective method to purify reformed H2. We investigated the catalytic... 
Theoretical and Computational Chemistry | Chemistry | Density of states | Cu n Au clusters | Physical Chemistry | Mechanical properties | Atomic/Molecular Structure and Spectra | Catalytic properties | Inorganic Chemistry | CO-PROX | Organic Chemistry
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 03/2017, Volume 136, Issue 3
The CO preferential oxidation (CO-PROX) reaction is the simplest and most cost-effective method to purify reformed H-2. We investigated the catalytic... 
Mechanical properties | Catalytic properties | Cu | Au clusters | Density of states | CO-PROX | TEMPERATURE PROX REACTION | SELECTIVE OXIDATION | WATER-GAS SHIFT | MECHANISM | CHEMISTRY, PHYSICAL | SUPPORTED GOLD | CunAu clusters | CARBON-MONOXIDE | COPPER CLUSTERS | DEACTIVATION
Journal Article
11/2016, Volume 6, Issue 11, pp. 1827 - 18279
The reverse water gas shift (RWGS) reaction catalyzed by a Rh-Mo 6 S 8 cluster is investigated using density functional theory calculations. The reaction is... 
Journal Article
RSC Advances, 11/2016, Volume 6, Issue 110, pp. 108270 - 108279
The reverse water gas shift (RWGS) reaction catalyzed by a Rh-Mo6S8 cluster is investigated using density functional theory calculations. The reaction is... 
Formic acid | Reaction kinetics | Shift reaction | Clusters | Mathematical models | Decomposition | Catalysis | Computing time
Journal Article
Catalysis Surveys from Asia, ISSN 1571-1013, 9/2016, Volume 20, Issue 3, pp. 109 - 120
Journal Article
Catalysis Surveys from Asia, ISSN 1571-1013, 6/2016, Volume 20, Issue 2, pp. 63 - 73
Based on density functional theory calculations, we have systematically studied the WGS reaction on various nanosized Cu12TM of Co, Ni, Cu (from the 3d row),... 
Chemistry | Physical Chemistry | WGSR | BEP relationship | Characterization and Evaluation of Materials | TOF | Catalysis | Industrial Chemistry/Chemical Engineering | d-Band center | OXIDATION | MOLECULAR CALCULATIONS | EFFECTIVE CORE POTENTIALS | CHEMISTRY, PHYSICAL | GENERALIZED GRADIENT APPROXIMATION | REACTION-MECHANISM | SURFACE | COPPER CLUSTERS | METAL | GOLD CATALYSTS
Journal Article
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