1,650 Works

NMR Data for Kinetic Resolution of 2-Substituted Indolines via N-Sulfonylation using an Atropisomeric 4-DMAP-N-oxide Organocatalyst.

Henry Rzepa
Results published via Imperial College London
NMR Spectra. Version 11 of the Mestrenova software is required to process these files, available from http://mestrelab.com/software/mnova/download/ Download the .mnpub signature file and load it into MestreNova to view the spectra. To view datasets obtained here, Mestrenova need not be licensed.
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1781 Cite

2-(2-Bromo-4,6-bis(perfluorobutyl)phenyl)-4-(dimethylamino)-pyridine-N-oxide

Henry Rzepa
Results published via Imperial College London
NMR Data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1790 Cite

(2R,3R)-1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2,3-dimethylindoline

Henry Rzepa
Results published via Imperial College London
NMR Data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1794 Cite

2-(2-bromo-4,6-bis(trifluoromethyl)phenyl)-4-chloropyridine 1-oxide

Henry Rzepa
Results published via Imperial College London
1H NMR Data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1812 Cite

2-(2,4-bis(perfluorobutyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Henry Rzepa
Results published via Imperial College London
NMR Data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1817 Cite

4-(dimethylamino)-2-(5-phenyl-3,5-bis(trifluoromethyl)-[1,1_3,1-terphenyl]-2-yl)pyridine-1-oxide

Henry Rzepa
Results published via Imperial College London
1H NMR Data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1823 Cite

5-chloro-1-((2-isopropyl-4-nitrophenyl)sulfonyl)-2-methylindoline

Henry Rzepa
Results published via Imperial College London
NMR Data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1825 Cite

O-(2-isopropyl-4-nitrophenyl) dimethylcarbamothioate

Henry Rzepa
Results published via Imperial College London
NMR data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1827 Cite

Conf3, TPSSh/6-311g(2df,p) nstates=150

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1833 Cite

Cat1 Conf4 TPSSh nstates=150

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1836 Cite

Conf4, TPSSh/6-311g(2df,p) optrot

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1838 Cite

ionic, NN contraction + NMe3 to sequester proton, TS,Me-OPh, tert-butyl

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1845 Cite

Carboxylic first cycle, dimer

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1852 Cite

Carboxylic first cycle, dimer + 3H2O

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1857 Cite

Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.

Henry Rzepa
Results published via Imperial College London
Photoswitchable compounds, which can be reversibly switched between two isomers by light, continue to attract significant attention for a wide array of applications. Azoheteroarenes represent a relatively new but understudied type of photoswitch, where one of the azobenzene aryl rings from the conventional azobenzene class has been replaced with a five-membered heteroaromatic ring. Initial studies have suggested the azoheteroarenes - the arylazopyrazoles in particular รข to have excellent properties and potential (near quantitative switching and...
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1858 Cite

Carboxylic first cycle, dimer + amine => TI => amide via PT TS

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1865 Cite

Conf5, wB97XD/6-311g(2df,p) VCD NMR

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1870 Cite

Me-OPh, tert-butyl imine + mCPBA, reactant

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1872 Cite

Conf8, wB97XD Def2-TZVPP NMR VCD

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1878 Cite

Complex 8

Gemma Trott
Results published via Imperial College London
Raw data files for complex 8
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1894 Cite

Complex 9

Gemma Trott
Results published via Imperial College London
Raw data files for complex 9
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1895 Cite

TS for 1,2-epoxidation of 1,3-di-tert-butyl bromoallene, QZVP basis set.

Henry Rzepa
Results published via Imperial College London
Transition state for 1,2-epoxidation of 1,3-di-tert-butyl allene, using keywords wb97xd/QZVP scrf=(cpcm,solvent=acetone) opt(calcfc,ts,noeigentest,cartesian) freq integral=grid=ultrafine
3 citations
No usage information was reported.
https://doi.org/10.14469/hpc/443 Cite

TS for 1,2-epoxidation of unsubstituted bromoallene

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/446 Cite

TS for 2,3-epoxidation of unsubstituted bromoallene, anti-periplanar

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/447 Cite

Imine + peracetic acid, pi attack

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1657 Cite

Registration Year

  • 2016
    1,650

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    55

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  • Imperial College London
    1,650
  • University of Oxford
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  • University of Manchester
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  • French National Centre for Scientific Research
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