822 Works

Molecules of the year 2019: Hexagonal planar crystal structures.

Henry Rzepa
Results published via Imperial College London
Conquest search queries.
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6731 Cite

Codebook_MOFICHE_may2019_imp_antibiotics

Tisham De
Results published via Imperial College London
Codebook of dataset: description of variables and values
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7250 Cite

A.Hassan Thesis

Amira Hassan
Results published via Imperial College London
Data included from Chapter 4: Targeted DamID experiments results including: Peaks called for Cap-G, Peaks called for Lola-N and GO Analysis performed Data included from Chapter 5: RNAseq experiments, differential gene expression analysis results,
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7267 Cite

Willgerodt TS1 G = -994.444940 DG3BJ G = -994.508737 DG = 27.9

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/7279 Cite

Willgerodt Int2 (protonated) G = -994.966716 DG = 22.4

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/7288 Cite

Willgerodt TS3 (final 1,2-H shift) DG3BJ G = -994.485324 DG = 42.6 IRC forward

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/7302 Cite

Willgerodt-Kindler Int1 Full + NH3 G = -1338.184935 DG = 9.3

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/7311 Cite

Lukas mechanism, neutral system 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/6732 Cite

1',3'-di-tert-butyl-1,3,4,4-tetrakis(2,4,6-triisopropylphenyl)spiro[bicyclo[1.1.0]tetrasilane-2,2'-[1,3,2]diazasilolidine], singlet, C2 symmetry G=-4003.441398 (Si-Si 2.972), compound 3a.

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/6774 Cite

1-(2-isopropyl-5-methylphenoxy)-3-(p-tolyl)propan-2-one

Nicholas Price
Results published via Imperial College London
A collection of data for our first year synthesis labs involving the synthesis of a novel ester. The ester synthesised being 1-(2-isopropyl-5-methylphenoxy)-3-(p-tolyl)propan-2-one. In the NMR data there is a hexane peak, indicating that the solvent had not fully dissolved.
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6955 Cite

2-methoxyphenyl-2-(4-methoxyphenyl)acetate

Karim Fenelon
Results published via Imperial College London
Possible guaiacol and 4-methoxyphenylacetic acid impurity
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6956 Cite

2-methoxyphenyl-2-cyclopentylacetate

Afaaf Azreen
Results published via Imperial College London
Ethyl acetate impurity
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6957 Cite

Hydrophilic interaction chromatography mass-spectrometry in urine

Oliver Robinson
Results published via Imperial College London
The NPCs optimised Hydrophilic interaction chromatography (HILIC, denoted H in NPC assays), provides enhanced separation of small, highly polar molecules, ionised in both positive mode.
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6980 Cite

reaction of guaiacol and geranic acid

Chenyang Zheng
Results published via Imperial College London
making an ester from guaiacol and geranic acid
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/6981 Cite

4-allyl-2-methoxyphenyl 4-methylcyclohexane-1-carboxylate

Ryota Nakao
Results published via Imperial College London
Synthesised Ester
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7000 Cite

The mechanism of Michael 1,4 Nucleophilic addition: a computationally derived reaction pathway.

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7032 Cite

Michael 1,4 addition Final product wB97XD/Def2-TZVPP after TS3 G = -515.589136

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/7034 Cite

Michael 1,4 addition Zwitterionic intermediate Int1 wB97XD/Def2-TZVPP after initial PT G = -515.580485

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/7036 Cite

4bc, Methyl 1-(4-chlorophenyl)aziridine-2-carboxylate

Silvia Diez-Gonzalez
Results published via Imperial College London
Data for aziridine 4bc
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7045 Cite

6ia, 1,1'-{5-[(Mesitylamino)methyl]-D2-pyrazolin-3,5-diyl}bis(ethan-1-one)

Silvia Diez-Gonzalez
Results published via Imperial College London
Data for pyrazoline 6ia
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7050 Cite

6ja, Methyl 3-{[(3,5-diacetyl-D2-pyrazolin-5-yl)methyl]amino}thiophene-2-carboxylate

Silvia Diez-Gonzalez
Results published via Imperial College London
Data for pyrazoline 6ja
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7051 Cite

10nf, 4-{4-[2-(Phenylsulfonyl)ethyl]-1H-1,2,3-triazol-1-yl}benzonitrile

Silvia Diez-Gonzalez
Results published via Imperial College London
Data for triazole 10nf
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7059 Cite

3nd', 4-(5-Acetyl-5-methyl-D2-1,2,3-triazolin-1-yl)benzonitrile

Silvia Diez-Gonzalez
Results published via Imperial College London
Data for triazoline 3nd'
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7062 Cite

Michael 1,4 addition, Reactant wB97XD/Def2-TZVPP with one formyl group replaced by nitro G = -606.769958

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/7064 Cite

6ca: 1,1'-(5-{[(4-Methoxyphenyl)amino]methyl}-D2-pyrazolin-3,5-diyl)bis(ethan-1-one)

Silvia Diez-Gonzalez
Results published via Imperial College London
Data for pyrazoline 6ca
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/7067 Cite

Registration Year

  • 2020
    822

Resource Types

  • Dataset
    822

Affiliations

  • Imperial College London
    822
  • University of Oxford
    11
  • University of Cambridge
    4
  • University of Exeter
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  • London School of Hygiene & Tropical Medicine
    2
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