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A Theoretical Study on Organoselenium-Catalyzed Exo-Selective Oxidative Ring-Closing Reaction Promoted by 3 Different N-F Oxidants: Active Catalytic Species Screening, Reaction Mechanism, Origin of Exo-/Endo- and (E)-/(Z)- Selectivities, and the Influence of Different Reagents on Reaction Yields

https://doi.org/10.2139/ssrn.4814372
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Organoselenium‐Catalyzed Regioselective C−H Pyridination of 1,3‐Dienes and Alkenes
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Mechanism and Origin of Stereoselectivity for the NHC-Catalyzed Desymmetrization Reaction for the Synthesis of Axially Chiral Biaryl Aldehydes
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Selenium-Catalyzed Oxidative C–H Amination of (E)-3-(Arylamino)-2-styrylquinazolin-4(3H)-ones: A Metal-Free Synthesis of 1,2-Diarylpyrazolo[5,1-b]quinazolin-9(1H)-ones
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Organoseleno-Catalyzed Synthesis of α,β-Unsaturated α′-Alkoxy Ketones from Allenes Enabled by Se···O Interactions
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Organoselenium-Catalyzed, Hydroxy-Controlled Regio- and Stereoselective Amination of Terminal Alkenes: Efficient Synthesis of 3-Amino Allylic Alcohols
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Selenium-Catalyzed Oxidative C(sp2)–H Amination of Alkenes Exemplified in the Expedient Synthesis of (Aza-)Indoles
inferredcites →https://doi.org/10.1021/acs.orglett.5b03543openalex-extracted
Organoselenium-Catalyzed Synthesis of Oxygen- and Nitrogen-Containing Heterocycles
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N-Heterocyclic Carbene/Brønsted Acid Cooperatively Catalyzed Conversions of α, β-Unsaturated Carbonyls: Hydrogen Bond Donor/Acceptor-Electrophile/Nucleophile Combination Models
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Electrophilic Selenium-Catalyzed Desymmetrizing Cyclization to Access P-Stereogenic Heterocycles
inferredcites →https://doi.org/10.1021/acscatal.7b01216openalex-extracted
Oxidative Alkene Functionalizations via Selenium-π-Acid Catalysis
inferredcites →https://doi.org/10.1021/acscatal.7b03829openalex-extracted
Organoselenium-Catalyzed Oxidative Allylic Fluorination with Electrophilic N–F Reagent
inferredcites →https://doi.org/10.1021/acscatal.8b01595openalex-extracted
Selenium-π-Acid Catalyzed Oxidative Functionalization of Alkynes: Facile Access to Ynones and Multisubstituted Oxazoles
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The path of chemical reactions - the IRC approach
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A quantum theory of molecular structure and its applications
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NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
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What is the rate-limiting step of a multistep reaction?
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Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity
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Revealing Noncovalent Interactions
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Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models
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Catalytic, Enantioselective Syn -Oxyamination of Alkenes
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A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization
inferredcites →https://doi.org/10.1021/jacs.9b11261openalex-extracted
Catalytic, Enantioselective syn- Diamination of Alkenes
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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
inferredcites →https://doi.org/10.1021/ol071223yopenalex-extracted
Catalytic Use of Selenium Electrophiles in Cyclizations
inferredcites →https://doi.org/10.1021/ol202800kopenalex-extracted
Selenium-Catalyzed Regioselective Cyclization of Unsaturated Carboxylic Acids Using Hypervalent Iodine Oxidants
inferredcites →https://doi.org/10.1038/nchem.2141openalex-extracted
Catalytic, stereospecific syn-dichlorination of alkenes
inferredcites →https://doi.org/10.1039/b508541aopenalex-extracted
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
inferredcites →https://doi.org/10.1039/c5qo00179jopenalex-extracted
Organoselenium-catalyzed synthesis of indoles through intramolecular C–H amination
inferredcites →https://doi.org/10.1039/c8cy02274gopenalex-extracted
Selenium reagents as catalysts
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Organoselenium small molecules as catalysts for the oxidative functionalization of organic molecules
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A semipinacol rearrangement of vinylogous α-ketol cocatalyzed by a cinchona-based primary amine and N -Boc-phenylglycines: mechanisms, roles of catalysts and the origin of enantioselectivity
inferredcites →https://doi.org/10.1039/d1gc00961copenalex-extracted
Selenium-catalyzed selective reactions of carbonyl derivatives: state-of-the-art and future challenges
inferredcites →https://doi.org/10.1039/d3cy00791jopenalex-extracted
NHC-catalyzed enantioselective radical reactions of enal and pyridinium salt: mechanism and origin of regio- and stereoselectivities
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A post-Hartree–Fock model of intermolecular interactions
inferredcites →https://doi.org/10.1063/1.2065267openalex-extracted
A density-functional model of the dispersion interaction
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A post-Hartree-Fock model of intermolecular interactions: Inclusion of higher-order corrections
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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An improved algorithm for reaction path following
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Atoms in Molecules
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Generalized Gradient Approximation Made Simple
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Recent Advances in Organoselenium Catalysis
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