1,155 Works

Cumyl ethyl malonate

Henry Rzepa
Results published via Imperial College London
Ethyl malonyl chloride (234mg, 1.56mmole) was added in one go to a stirred solution of cumyl acohol (227mg, 1.67mmole) and N,N-dimethylaniline (164mg, 1.36mmole) in diethyl ether (2ml). The reaction was exothermic and the mixture went cloudy. After stirring at room temperature over the weekend, the supernatant of the reaction was applied to a column of silica gel and the product eluted with hexane : ethyl acetate (5 : 1) as a sweet-smelling, colourless oil (248mg).
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6216 Cite

Joseph Loschmidt: Structural formulae, 1861

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6251 Cite

WWW94 Chemistry Workshop

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/5851 Cite

1,2 shift after 1,3 shift with N-Me, 2H2O + HCl + acetyl, N3 deprotonated, N-N still intact, G=-1049.179313

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/5908 Cite

SQ258/Audio1

Jacob Griffiths
Results published via Imperial College London
dir_001
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/5909 Cite

Bromoallene, Def2-SVPD AgOAc complex anti TS acetic acid solvent R-methyl G=-3257.931876 IRC

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/5911 Cite

Bromoallene, Def2-SVPD 2AgOAc complex C-O formation, acetic acid solvent (S) G=-3633.228822 IRC

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/5915 Cite

Bromoallene, Def2-SVPD 2AgOAc complex C-Br cleavage, TS acetic acid solvent (R ) G=-3633.223311 (15.2) IRC

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/5924 Cite

Bromoallene, Def2-SVPD 2AgOAc complex C-Br cleavage, TS acetic acid solvent (S) Product G=-3633.323551

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/5925 Cite

Junctions between two-dimensional plasmonic waveguides in the presence of retardation

Oleksiy Sydoruk
Results published via Imperial College London
This is data accompanying the publication "Junctions between two-dimensional plasmonic waveguides in the presence of retardation" by S. Siaber et al
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/5945 Cite

1,4 shift using urea N-Me, TS N-N cleavage G=-660.740071

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/5952 Cite

1,4 shift with N-Me, 2H2O + HCl + acetyl, TS N-N cleavage G=-1049.175605

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/5958 Cite

1,4 shift with N-Me, 2H2O + HCl + acetyl, TS G=--1700.577871 DG = 6.6

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/5960 Cite

1,4 shift with 2H2O + HCl, p-Cl-Ph-N + acetyl TS G=-1700.577871 IRC

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/5965 Cite

1,4 shift with 2H2O + HCl p-Cl-Ph-N + acetyl N-N cleavage TS G=-1700.584621 IRC

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/5981 Cite

1,4 shift using guanidine, p-Cl-Ph, product G=-1292.254642

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/5987 Cite

A Non-nitrogen Containing Morpholine Isostere; an application of FAIR data principles.

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/5992 Cite

D with dispersion opt conf2 G=-612.312576

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/5994 Cite

D with dispersion opt conf2 G=-612.312576 optrot -31

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/5996 Cite

1,4 shift using two cholines, p-Cl-Ph, TS G=-2665.094347 DG=26.7

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/6004 Cite

12b (1S,6R), with dispersion, optrot, [a]D +118.01

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/6006 Cite

12b (1S,6R) with dispersion, opt, C-Ar rotamer, optrot, [a]D -54.13

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/6009 Cite

12b (1S,6R), with dispersion, rotamer 1, 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/6012 Cite

1,4 shift using two cholines, p-Cl-Ph, IRC

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/6015 Cite

C18 wB97XD/Def2-TZVPP, Kekule mode = -2058 cm-1

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/6017 Cite

Registration Year

  • 2019
    1,155

Resource Types

  • Dataset
    1,155

Affiliations

  • Imperial College London
    1,155
  • University of Bristol
    4
  • University College London
    3
  • University of Oxford
    2
  • University of Kansas
    1
  • Plymouth University
    1
  • National Museum of Natural History
    1
  • Huazhong University of Science and Technology
    1
  • Institute of Automation
    1
  • Royal Botanic Gardens
    1

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