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Organic Chemistry

Working Paper

Strain-Release Radical-Polar Crossover Annulation: A Unified Strategy to Access Spiro-, Fused-, and Enantioenriched-Aza/Oxa-Bicyclo[3.1.1]hepatanes

Bhismalochan Ghorai, Buddhadeb Sahana, Durga Prasad Hari

Version 1 posted 20 December 2024

291

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Organic Chemistry

Working Paper

Merging Rh-catalyzed C-H Functionalization and Cascade Cyclization to Enable Propargylic Alcohols as Three-Carbon Synthons: Experimental and Computational Investigations

Prajyot Nagtilak, Manoj Mane, Supreeth Prasad, Luigi Cavallo, Dean Tantillo, Manmohan Kapur

Version 2 posted 28 February 2022

1,167

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2

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Organic Chemistry

Working Paper

Dual Catalytic Enantioselective Desymmetrization of Allene-Tethered Cyclohexanones

Lin Zhang, Ken Yamazaki, Jamie Leitch, Ruben Manzano, Victoria Atkinson, Trevor Hamlin, Darren J. Dixon

Version 1 posted 22 May 2020

936

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Analytical Chemistry

Working Paper

Electroreduction of Carbon Dioxide into Selective Hydrocarbon Using Isomorphic Atomic Substitution in Stable Copper Oxide

Subramanian Nellaiappan, Ritesh Kumar, C. Shivakumara, Silvia Irusta, Jordan A. Hachtel, Juan-Carlos Idrobo, Abhishek Kumar Singh, Chandra Sekhar Tiwary, Dr Sudhanshu Sharma

Version 1 posted 11 September 2019

624

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Organic Chemistry

Working Paper

Benzothienoiodolium Cations Doubly Bonded to Anions via Halogen-Chalcogen and Halogen-Hydrogen Supramolecular Synthons

Irina Fedorova, Natalia Soldatova, Daniil Ivanov, Ksenia Nikiforova, Irina Aliyarova, Mekhman Yusubov, Peter Tolstoy, Rosa Gomila, Antonio Frontera, Vadim Kukushkin, Pavel Postnikov, Giuseppe Resnati

Version 1 posted 13 December 2022

279

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Catalysis

Working Paper

Metallomimetic C-F activation catalysis by simple phosphines

Sara Bonfante, Christian Lorber, Jason M. Lynam, Antoine Simonneau, John M. Slattery

Version 2 posted 22 September 2023

940

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Catalysis

Working Paper

Mechanistic Insights into Atom-Economical Bromoalkynylation of Ynamides: 1,3-Alkynyl Migration Explored through ¹³C Kinetic Isotope Effects, XPS, and DFT Analysis

Tapas R. Pradhan, Gisela A. González-Montiel, Alina Dzhaparova, Eunseok Park, Paul Ha-Yeon Cheong, Jin Kyoon Park

Version 1 posted 30 October 2024

213

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7 results in DFT Studies in Keywords: DFT Studies

Strain-Release Radical-Polar Crossover Annulation: A Unified Strategy to Access Spiro-, Fused-, and Enantioenriched-Aza/Oxa-Bicyclo[3.1.1]hepatanes

Merging Rh-catalyzed C-H Functionalization and Cascade Cyclization to Enable Propargylic Alcohols as Three-Carbon Synthons: Experimental and Computational Investigations

Dual Catalytic Enantioselective Desymmetrization of Allene-Tethered Cyclohexanones

Electroreduction of Carbon Dioxide into Selective Hydrocarbon Using Isomorphic Atomic Substitution in Stable Copper Oxide

Benzothienoiodolium Cations Doubly Bonded to Anions via Halogen-Chalcogen and Halogen-Hydrogen Supramolecular Synthons

Metallomimetic C-F activation catalysis by simple phosphines

Mechanistic Insights into Atom-Economical Bromoalkynylation of Ynamides: 1,3-Alkynyl Migration Explored through ¹³C Kinetic Isotope Effects, XPS, and DFT Analysis

7 results in Keywords: DFT Studies