822 Works

Molecules of the year 2019: Hexagonal planar crystal structures.

Henry Rzepa
Conquest search queries.

Codebook_MOFICHE_may2019_imp_antibiotics

Tisham De
Codebook of dataset: description of variables and values

A.Hassan Thesis

Amira Hassan
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,

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

Lukas mechanism, neutral system IRC

Henry Rzepa
Gaussian Calculation

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

Nicholas Price
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.

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

Karim Fenelon
Possible guaiacol and 4-methoxyphenylacetic acid impurity

2-methoxyphenyl-2-cyclopentylacetate

Afaaf Azreen
Ethyl acetate impurity

Hydrophilic interaction chromatography mass-spectrometry in urine

Oliver Robinson
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.

reaction of guaiacol and geranic acid

Chenyang Zheng
making an ester from guaiacol and geranic acid

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

Ryota Nakao
Synthesised Ester

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Silvia Diez-Gonzalez
Data for aziridine 4bc

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

Silvia Diez-Gonzalez
Data for pyrazoline 6ia

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

Silvia Diez-Gonzalez
Data for pyrazoline 6ja

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

Silvia Diez-Gonzalez
Data for triazole 10nf

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

Silvia Diez-Gonzalez
Data for triazoline 3nd'

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

Henry Rzepa
Gaussian Calculation

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

Silvia Diez-Gonzalez
Data for pyrazoline 6ca

Registration Year

  • 2020
    822

Resource Types

  • Dataset
    822

Affiliations

  • Imperial College London
    822
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    11
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    4
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    3
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    3
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    2
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    2
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    2