1,650 Works

isoR_Lactone_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

1,3-ciscis_octadiene_1 (opt freq)

Bethan Coulson
Gaussian Calculation

1,4-ciscis_octadiene_1 (opt freq)

Bethan Coulson
Gaussian Calculation

G_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

A_TS_CF3_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

IRC_isoFb_1 (IRC)

Bethan Coulson
Gaussian Calculation

Fa_TS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

Fb_isoTS_3 (opt ts freq)

Bethan Coulson
Gaussian Calculation

Fa_isoTS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

G_TS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

IRC_B_SO2py_1 (IRC)

Bethan Coulson
Gaussian Calculation

B_Tosyl_TS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

TS2Berry_enolate_6 (opt ts freq iop)

Bethan Coulson
Gaussian Calculation

B_TS_2 (opt ts freq)

Bethan Coulson
Gaussian Calculation

1stTS_1 F(-)ax approach (opt modred)

Bethan Coulson
Gaussian Calculation

TS3_SN2enolate_1 (opt modred)

Bethan Coulson
Gaussian Calculation

TS2Berry_enolate_4 (opt modred bonds and angle)

Bethan Coulson
Gaussian Calculation

TS2_SN2enolate_2 (opt ts freq)

Bethan Coulson
Gaussian Calculation

TS1_enolate_1 (opt modred)

Bethan Coulson
Gaussian Calculation

TS1_enolate_5 (based on _3) (opt ts freq)

Bethan Coulson
Gaussian Calculation

TS1_enolate_rxnpath_2 (use _1, B##S) (opt modred)

Bethan Coulson
Gaussian Calculation

isoEb_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

B_NO2_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

isoB_CF3_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_B_NO2_1 (IRC)

Bethan Coulson
Gaussian Calculation

Registration Year

  • 2016
    1,650

Resource Types

  • Dataset
    1,595
  • Collection
    55

Affiliations

  • Imperial College London
    1,650
  • University of Oxford
    6
  • Royal Botanic Gardens
    2
  • University of Groningen
    2
  • University of Manchester
    2
  • French National Centre for Scientific Research
    2
  • University College London
    2
  • Museo Nacional de Ciencias Naturales
    2
  • Zoological Society of London
    2
  • University of London
    2