Browsing University of Nottingham Research Data Management Service by Subject "Q Science::QD Chemistry::QD241 Organic chemistry"
Now showing items 1-20 of 23
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DFT data for "Enantioselective “clip-cycle” synthesis of di-, tri- and spiro- substituted tetrahydropyrans"
(The University of Nottingham, 2021-10-29)This dataset contains Gaussian DFT output files of the key ground-states and transition state DFT optimized structures. There is one top level folder. 'DFT data' contains computational files from the investigation of the ... -
DFT data for "Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction of Alcohols"
(The University of Nottingham, 2021-11-26)This dataset contains Gaussian DFT output files of the key ground-states and transition state DFT optimized structures for the results reported in the paper "Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction ... -
DFT data for "Interrogating the Crucial Interactions at Play in the Chiral Cation-Directed Enantioselective Borylation of Arenes"
(The University of Nottingham, 2023-09-15)This dataset contains Gaussian DFT output files of the ground-state and transition state DFT optimized structures for the paper "Interrogating the Crucial Interactions at Play in the Chiral Cation-Directed Enantioselective ... -
DFT data used in training MolE8 chemical ML models
(The University of Nottingham, 2021-11-09)=============================================================== Data for paper "MolE8: Finding DFT Potential Energy Surface Minima Values from Force-Field Optimised Organic Molecules with New Machine Learning ... -
NMR data for new compounds described in the paper: "Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols"
(University of Nottingham, 2018-10-11)Raw NMR data for new compounds described in the paper: "Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols". -
NMR data for paper: One-carbon oxidative annulation of 1,3-enynes by catalytic C–H functionalization and 1,4-rhodium(III) migration
(The University of Nottingham, 2018-02-20)Raw NMR data for the paper entitled: "One-carbon oxidative annulation of 1,3-enynes by catalytic C–H functionalization and 1,4-rhodium(III) migration" -
Polymers for binding of the Gram-positive oral pathogen Streptococcus mutans
(University of Nottingham, 2017-06-19)This deposit contains the raw data relating to the PLOS One paper described in the title. Contains data regarding: 1H and 19F NMR, Image analysis, and MTT assays. -
Raw data for new compounds described in the paper "A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis"
(University of Nottingham, 2023-01-23)Raw data for new compounds described in the paper "A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis" -
Raw data for new compounds described in the paper "Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(I) migration"
(University of Nottingham, 2020-02-27)Raw data for new compounds described in the paper "Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(I) migration" -
Raw data for new compounds described in the paper "Enantioselective Nickel-Catalyzed anti-Arylmetallative Cyclizations onto Acyclic Ketones"
(University of Nottingham, 2021-02-24)Raw data for new compounds described in the paper "Enantioselective Nickel-Catalyzed anti-Arylmetallative Cyclizations onto Acyclic Ketones" -
Raw data for new compounds described in the paper "Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene-ketones"
(University of Nottingham, 2020-01-22)Raw data for new compounds described in the paper "Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene-ketones". -
Raw data for new compounds described in the paper "Enantioselective nickel‐catalyzed anti‐arylmetallative cyclizations onto acyclic electron-deficient alkenes"
(University of Nottingham, 2021-04-01)Raw data for new compounds described in the paper "Enantioselective nickel‐catalyzed anti‐arylmetallative cyclizations onto acyclic electron-deficient alkenes" -
Raw data for new compounds described in the paper "Gold(I)-Catalyzed Nucleophilic Allylation of Azinium Ions with Allylboronates"
(University of Nottingham, 2022-03-04)Raw data for new compounds described in the paper "Gold(I)-Catalyzed Nucleophilic Allylation of Azinium Ions with Allylboronates" -
Raw data for new compounds described in the paper "Iridium-catalyzed 1,5-(aryl)aminomethylation of 1,3-enynes by alkenyl-to-allyl 1,4-iridium(I) migration"
(University of Nottingham, 2018-12-20)Raw data for new compounds described in the paper "Iridium-catalyzed 1,5-(aryl)aminomethylation of 1,3-enynes by alkenyl-to-allyl 1,4-iridium(I) migration" -
Raw data for new compounds described in the paper "Rhodium-catalyzed arylative cyclization of alkynyl malonates by 1,4-rhodium(I) migration"
(University of Nottingham, 2019-08-29)Raw data for new compounds described in the paper "Rhodium-catalyzed arylative cyclization of alkynyl malonates by 1,4-rhodium(I) migration" -
Raw data for new compounds described in the paper "Silver(I)-Catalyzed Synthesis of Cuneanes from Cubanes and their Investigation as Isosteres"
(University of Nottingham, 2023-07-07)Raw data for new compounds described in the paper "Silver(I)-Catalyzed Synthesis of Cuneanes from Cubanes and their Investigation as Isosteres" -
Raw data for new compounds described in the paper "Synthesis of New Morphinan Opioids by TBADT-Catalyzed Photochemical Functionalization at the Carbon Skeleton"
(University of Nottingham, 2022-06-07)Raw data for new compounds described in the paper "Synthesis of New Morphinan Opioids by TBADT-Catalyzed Photochemical Functionalization at the Carbon Skeleton" -
Raw data for new compounds described in the paper: "Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations"
(Royal Society of Chemistry, 2018-05-14)Raw data for new compounds described in the paper: "Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations" The enantioselective nickel-catalyzed desymmetrization of allenyl cyclohexa-2,5-dienones ... -
Raw data for new compounds described in the paper: "Enantioselective rhodium-catalyzed coupling of arylboronic acids, 1,3-enynes, and imines by alkenyl-to-allyl 1,4-rhodium(I) migration"
(The University of Nottingham, 2017-10-10)Raw data for new compounds described in the paper: "Enantioselective rhodium-catalyzed coupling of arylboronic acids, 1,3-enynes, and imines by alkenyl-to-allyl 1,4-rhodium(I) migration". -
Raw data for new compounds described in the paper: "Enantioselective synthesis of chiral cyclopent-2-enones by nickel-catalyzed desymmetrization of malonate esters"
(The University of Nottingham, 2018-05-22)Raw data for new compounds described in the paper: "Enantioselective Synthesis of Chiral Cyclopent-2-enones by Nickel-Catalyzed Desymmetrization of Malonate Esters". The enantioselective synthesis of highly functionalized ...