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Modeling the Charging of Highly Oxidized Cyclohexene Ozonolysis Products Using Nitrate-Based Chemical Ionization.
Several extremely low volatility organic compounds (ELVOCs) formed in the ozonolysis of endocyclic alkenes have recently been detected in laboratory and field studies. These experiments have beenExpand
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Light-Activated Chemical Probing of Nucleobase Solvent Accessibility Inside Cells
The discovery of functional RNAs critical for normal and disease physiology continues to expand at a break-neck pace. Many RNA functions are controlled by the formation of specific structures; anExpand
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Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles† †Electronic supplementary information (ESI) available: Full details on computational methodology, analysis of reactive
Nonadiabatic molecular dynamics simulations suggest an excited state electron proton transfer mechanism and explain the observation of mobile hydroxyl radicals.
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Cationic Gold Catalysis with Pyridine-Tethered Au(III) NHC-Carbenes: An Experimental and DFT Computational Study
A novel strategy is developed to produce catalytically active cationic Au(III) species by pyridine-tethered NHC complexes. The catalytic properties of two NHC complexes, equipped with distinctExpand
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Gold‐Catalyzed Conversion of Aryl‐ and Alkyl‐Substituted 1‐(o‐Aminophenyl)‐2‐propyn‐1‐ones to the Corresponding 2‐Substituted 4‐Quinolones
Gold-catalyzed cyclization of alkyl- or aryl-substituted 1-(o-aminophenyl)-2-propyn-1-ones to the corresponding 2-substituted 4-quinolones was studied with various gold salts and complexes. ScreeningExpand
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Effect of mutual position of electron donor and acceptor on photoinduced electron transfer in supramolecular chlorophyll-fullerene dyads.
In this study we have explored the influence of mutual position of chlorin electron donor and fullerene C60 electron acceptor on photoinduced electron transfer. Two zinc-chlorin-aza-[18]crown-6Expand
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That Little Extra Kick: Nonadiabatic Effects in Acetaldehyde Photodissociation.
The effect of nonadiabatic transitions on branching ratios, kinetic and internal energy distribution of fragments, and reaction mechanisms observed in acetaldehyde photodissociation is investigatedExpand
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Intermolecular oxidative dehydrogenative 3,3′-coupling of benzo[b]furans and benzo[b]thiophenes promoted by DDQ/H+: total synthesis of shandougenine B
With an excess of a strong acid, 2,3-dichloro-5,6-dicyano-1,4-quinone (DDQ) is shown to promote metal-free intermolecular oxidative dehydrogenative (ODH) 3,3′-coupling of 2-aryl-benzo[b]furans andExpand
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Electronic regioselectivity of diarylalkynes in cobalt-mediated Pauson-Khand reaction: an experimental and computational study with para- and meta-substituted diarylalkynes and norbornene.
Both steric and electronic factors of substituted alkynes are known to guide α/β-cyclopentenone regioselectivity in the cobalt-mediated Pauson-Khand reaction (PKR). In synthetic applications of theExpand
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Total Synthesis of (-)-Chromodorolide B By a Computationally-Guided Radical Addition/Cyclization/Fragmentation Cascade.
The first total synthesis of a chromodorolide marine diterpenoid is described. The core of the diterpenoid is constructed by a bimolecular radical addition/cyclization/fragmentation cascade thatExpand
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