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1
Published in 2017 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201700289
Abstract: The development of synthetic routes to nanomaterials has been motivated by their potential applications in electronics, optics, and catalytic reactions. Solution-based synthesis has relied on organic stabilizers to regulate the crystal growth. Despite the beneficial…
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Keywords:
organic stabilizers;
coordination polymers;
solution;
catalytic reactions ... See more keywords
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2
Published in 2023 at "Small"
DOI: 10.1002/smll.202207261
Abstract: As a gaseous second messenger, nitric oxide (NO) plays an important role in a series of signal pathways. Research on the NO regulation for various disease treatments has aroused wide concern. However, the lack of…
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Keywords:
nitric oxide;
functional nanomaterials;
generation;
advances functional ... See more keywords
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2
Published in 2023 at "Chemical record"
DOI: 10.1002/tcr.202300133
Abstract: The design and synthesis of chiral ligands plays an important role in asymmetric catalytic reactions. Over the past decades, various types of chiral phosphine-oxazolines (PHOX ligands) have been developed and have greatly advanced the field…
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Keywords:
biphenylphosphine oxazoline;
asymmetric catalytic;
axis unfixed;
unfixed biphenylphosphine ... See more keywords
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Published in 2021 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2021.130642
Abstract: Abstract The theoretical framework for analysis of heterogeneous catalytic reactions on metals clusters sensitive to the cluster shape has been developed. Cubooctahedrons, cubes and semi-spherical particles have been considered having a different number of edge,…
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Keywords:
shape;
shape sensitive;
kinetics cluster;
cluster shape ... See more keywords
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Published in 2020 at "Molecular Catalysis"
DOI: 10.1016/j.mcat.2020.111314
Abstract: Abstract Magnesium dichloride, titanium tetrachloride, and triethyl aluminum are essential components in the Ziegler-Natta catalysts for olefin polymerization. We report a systematic computational investigation (M06-2X/def-TZVP level of theory, thus accounting for dispersion) of the thermodynamics…
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Keywords:
titanium tetrachloride;
dichloride clusters;
catalytic reactions;
magnesium dichloride ... See more keywords
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Published in 2021 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.1c00090
Abstract: ConspectusHysteresis is ubiquitous in nature and biology. It appears in ferromagnetism, ferroelectrism, traffic congestion, river sedimentation, electronics, thermoresponses, cell division, differentiation, and apoptosis. Hysteresis phenomena are beyond equilibrium and involve nonlinear, bistable, time delay, and…
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Keywords:
thermal hysteresis;
hysteresis;
self catalytic;
reversible self ... See more keywords
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Published in 2021 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.1c02710
Abstract: Process analysis of heterogeneous catalytic reactions such as lignin depolymerization is essential to understand the reaction mechanism at the molecular level, but it is always challenging due to harsh conditions. Herein, we report an operando…
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Keywords:
process analysis;
catalytic reactions;
depolymerization;
heterogeneous catalytic ... See more keywords
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2
Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.3c00088
Abstract: Microkinetic modeling is invaluable for coupling "microscale" atomistic data with "macroscale" reactor observables. We introduce an Open-source Microkinetic Modeling (OpenMKM) multiscale mean-field microkinetics modeling toolkit targeting mainly heterogeneous catalytic reactions but applies equally to homogeneous…
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Keywords:
software;
reaction;
source;
heterogeneous catalytic ... See more keywords
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Published in 2020 at "ACS Catalysis"
DOI: 10.1021/acscatal.0c00185
Abstract: Thiele moduli and effectiveness factors are powerful ways to account for mass transfer limitations on reactions occurring within porous catalyst particles. Effectiveness factors have been developed...
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Keywords:
factors solubility;
solubility effects;
effects catalytic;
secondary effectiveness ... See more keywords
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Published in 2019 at "ACS Omega"
DOI: 10.1021/acsomega.9b00133
Abstract: Self-catalytic reactions are chemical phenomena, in which a product catalyzes the reactions of substrates further to yield products. A significant amplification of product concentration occurs during the reactions in a dilute solution, which exhibit notable…
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Keywords:
systems involving;
involving two;
self catalytic;
chemical systems ... See more keywords
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Published in 2020 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.0c02272
Abstract: The dynamic status near the surface of a catalyst can significantly affect the catalytic process, because the overall reaction rate depends on the mass velocity of product attachment and reactant detachment. As a dominant diffusion…
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Keywords:
heterogeneous catalytic;
catalytic reactions;
metal organic;
organic framework ... See more keywords