6,033 Works

I24 pbepbe/Def2-TZVPPD+PP + water, constrained to 74.1

Henry Rzepa
Gaussian Calculation

Z-8nd, Z-4-[(4-oxopent-2-en-2-yl)amino]benzonitrile

Silvia Diez-Gonzalez
Data for enaminone Z-8nd

6jc, Dimethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]amino}methyl)-D2-pyrazoline-3,5-dicarboxylate

Silvia Diez-Gonzalez
Data for pyrazoline 6jc

4nd, 4-(2-Acetyl-2-methylaziridin-1-yl)benzonitrile

Silvia Diez-Gonzalez
Data for aziridine 4nd

5ae, Ethyl 4-[(2-diazo-3-oxocyclohexyl)amino]benzoate

Silvia Diez-Gonzalez
Data for diazo compound 5ae

Figure 3 (Wright BMC Biology 2020)

Maxie M Roessler
All primary data files for Figure 3 in Wright et al. BMC Biology 2020

nitroxide radical anion with HOMO/SUMO switched? solvent water Def2-TZVPPD UMO62X

Henry Rzepa
Gaussian Calculation

6kc: methyl 5-acetyl-5-((pyridin-3-ylamino)methyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

Silvia Diez-Gonzalez
Data for pyrazoline 6kc

Michael 1,4 addition TS2, IRC.

Henry Rzepa
Gaussian Calculation

Michael 1,4 addition, G = -515.564222 TS1, IRC for PT

Henry Rzepa
Gaussian Calculation

Choreographing a chemical ballet: what happens if you change one of the actors?

Henry Rzepa

SMe6 WFN Def2-TZVPP

Henry Rzepa
Gaussian Calculation

PMe5, C4v

Henry Rzepa
Gaussian Calculation

It’s penta-coordinate carbon Spock- but not as we know it!

Henry Rzepa

tert-butyl (R)-2-((1,3,6,2-dioxazaborocan-2-yl)methyl)pyrrolidine-1-carboxylate alt conformation

Henry Rzepa
Gaussian Calculation

NF5 D3h

Henry Rzepa
Gaussian Calculation

V [oct, twisted] as per Figure S35

Charles ROMAIN
Gaussian Calculation

VI(c)-TS [oct, chair] as per Figure S35

Charles ROMAIN
Gaussian Calculation

VII [tbp, twisted] as per Figure S35

Charles ROMAIN
Gaussian Calculation

isopropoxydiphenylborane, aug-pcSseg-1 43.8

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, TS1, trans + HCl, p=NH2 -1324.248061

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, TS, trans, p=H -807.979781 21.22

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, TS, cis p=H, -807.971006, +5.57

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, TS, trans, p=Cl -1267.621910 = 18.51

Henry Rzepa
Gaussian Calculation

SeMe2(SiH3)4 Wiberg

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2020
    408
  • 2019
    1,150
  • 2018
    1,348
  • 2017
    1,415
  • 2016
    1,595
  • 2015
    71
  • 2014
    22
  • 2013
    11
  • 2012
    7
  • 2011
    5

Resource Types

  • Dataset
    6,033

Affiliations

  • Imperial College London
    6,033
  • University of Oxford
    27
  • University College London
    9
  • Natural History Museum
    9
  • University of Cambridge
    8
  • University of London
    7
  • Royal Botanic Gardens
    6
  • University of Manchester
    6
  • Yale University
    6
  • University of Exeter
    6