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    • Henry Rzepa

    5 results in Authors: Henry Rzepa

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A Thermodynamic assessment of the reported room-temperature chemical synthesis of C2

    , Authors: Henry S. Rzepa

    605
    Downloads
    Category: Organic Chemistry
    ,
    Working Paper
    , Title:

    IUPAC Specification for the FAIR Management of Spectroscopic Data in Chemistry (IUPAC FAIRSpec) - Guiding Principles

    , Authors: Robert Hanson, Damien Jeannerat, Mark Archibald, Ian Bruno, Stuart Chalk, Antony Davies, Robert Lancashire, Jeffrey Lang, Henry Rzepa

    98
    Downloads
    Category: Organic Chemistry
    ,
    Working Paper
    , Title:

    A combined DFT-predictive and experimental exploration of the sensitivity towards nucleofuge variation in zwitterionic intermediates relating to mechanistic models for unimolecular chemical generation and trapping of free C2 and alternative bimolecular pathways involving no free C2.

    , Authors: Henry Rzepa, Miki Arita, Kazunori Miyamoto, Masanobu Uchiyama

    55
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine-carbon and fluorine-boron bonds

    , Authors: Alexandre Dumon, Henry Rzepa, Carla Alamillo-Ferrer, Jordi Bures, Richard Procter, Tom Sheppard, Andrew Whiting

    188
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Routes involving no free C2 in a DFT-computed mechanistic model for the reported room-temperature chemical synthesis of C2.

    , Authors: Henry Rzepa

    252
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    ChemRxiv logo ISSN 2573-2293 (Online)