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Enhancement on Hemilabile Phosphine-Amide Palladium and Nickel Catalysts for Ethylene (Co)Polymerization with Polar Monomers Using a Cyclizing Strategy
To address the issue of hemilabile catalyst in olefin polymerization catalysis, a cyclizing strategy was used to construct novel N -bridged...
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Continuous Flow Generation of Highly Reactive Organometallic Intermediates: A Recent Update
Reactive organometallic intermediates present a distinct opportunity for the creation of novel carbon-carbon and carbon-heteroatom bonds. Whereas...
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Theoretical insight into the activity and selectivity in palladium/Ming-Phos-catalyzed three-component asymmetric synthesis of gem-diarylmethine silanes
Recently, a three-component coupling reaction for efficient construction of gem-diarylmethine silanes was developed, utilizing a Pd-Ming-Phos...
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A silylene-stabilized distannavinylidene with a highly labile substituent
Vinylidene and its heavier analogues are fundamentally important in synthetic chemistry, but their stabilization and structural characterization...
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Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling
The rapid increase of publicly available chemical structures and associated experimental data presents a valuable opportunity to build robust QSAR...
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Pincer Ru with a single stereogenic identity for highly efficient asymmetric transfer hydrogenation of ketones
The asymmetric reduction of carbonyl compounds by means of the Ru-chiral diphosphine-chiral diamine catalysts is widely useful in organic synthesis...
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Poly(mercaptoimidazolyl)borate Complexes of Cadmium and Mercury
The coordination chemistry of bis- and tris(mercaptoimidazolyl)borate ligands with both main-group and transition metals is rapidly expanding....
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Theoretical Investigation of the Mechanism of Rh(III)-catalyzed Annulation of 2-Biphenylboronic Acid with Activated Alkene
The mechanism is investigated for Cp t Bu Rh(OH) 2 -catalyzed annulation of 2-biphenylboronic acid with three activated alkenes using M06-2X functional....
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Titanyl complexes with 1,10-phenanthroline-based diols
The reaction of the O,N,N,O-type ligands, namely, 4,7-bis(4- tert -butylphenoxy) 2 -2,9-(HOCRR’CH) 2 -1,10-phenanthrolines, LH 2 (R = R′ = Ph (1) , RR ′ = −(CH
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Theoretical study of new stable triplet silylenes
To reach new triplet ground state (T) silylenes, we compare and contrast acyclic silylenes with group 14 substituents (:Si(XH 3 ) 2 (X = C, Si, Ge, Sn,...
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Molecular and electronic structure analysis of [Fe(CO)4(SiX)] (X = O, S, Se and Te): a DFT study
DFT quantum calculations using B3LYP level of theory have been done for Fe(CO) 5 and for the axial and equatorial isomers of [Fe(CO) 4 (SiX)] (X = O, S,...
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CO2 reduction reaction on Sc-doped nanocages as catalysts
ContextThe catalytic ability of Sc-doped C 46 and Sc-doped Al 23 P 23 as catalysts of CO 2 -RR to create the CH 4 and CH 3 OH is investigated. The mechanisms...
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Green Synthesis of Chemically Recyclable Polyesters via Dehydrogenative Copolymerization of Diols
Preparation of chemically recyclable polyesters by ring-opening polymerization (ROP) has made a considerable progress over the past few years....
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Theoretical Simulation and Experimental Optimization of Reaction Conditions and Product Composition of Ferrocene Acylation
AbstractFerrocene (Fc) as a non-benzene aromatic organometallic compound can undergo Friedel–Crafts acylation like benzene, but the two...
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Binuclear complex of the organogold derivative of nitronyl nitroxide with 1,1′-bis(diphenylphosphino)ferrocene: synthesis, structure, and properties
A biradical formed by coordination of the organogold derivative of a nitronyl nitroxide radical with 1,1′-bis(diphenylphosphino)ferrocene was...
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NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes
We present a nonadiabatic statistical theory (NAST) package for predicting kinetics of spin-dependent processes, such as intersystem crossings,...
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Metal complex catalysts broaden bioorthogonal reactions
Bioorthogonal reactions involving transition metals have diversified applications in imaging, drug development, chemical catalysis and other fields....
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Copper-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides with β-trifluoromethyl-substituted alkenyl heteroarenes
Copper-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides and β-trifluoromethyl-substituted alkenyl heteroarenes was developed for...
