1,650 Works

isoH_SO2py_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

isoH_SO2py_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_I_SO2_1 (IRC)

Bethan Coulson
Gaussian Calculation

A_CF3_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_A_NO2_1 (IRC)

Bethan Coulson
Gaussian Calculation

Fa_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

Fb_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

TS for 1,2-epoxidation of unsubstituted bromoallene

Henry Rzepa
Gaussian Calculation

TS for 2,3-epoxidation of unsubstituted bromoallene, anti-periplanar

Henry Rzepa
Gaussian Calculation

-739.857772 (25.4) 10.14469/hpc/471, IRC 10.14469/hpc/477

Henry Rzepa
Gaussian Calculation

MeB(NR2)2 + CO2 N-adduct TS TZVPP

Henry Rzepa
Gaussian Calculation

A_isoTS (E silyl enol ether)

Bethan Coulson
Gaussian Calculation

-739.857772 (25.4) 10.14469/hpc/471, IRC 10.14469/hpc/477

Henry Rzepa
Gaussian Calculation

MeB(NR2)(N(TMS))2 + CO2 N-adduct TS TZVPP

Henry Rzepa
Gaussian Calculation

test with HSR and Bethan Coulson

Donald Craig
Gaussian Calculation

decarboxylative claisen R1=R2=Me, CN, DCM IRC

Henry Rzepa
Gaussian Calculation

decarboxylative claisen R1=R2=Me, CN, DCM iso

Henry Rzepa
Gaussian Calculation

QQQ

Matthew Harvey
QQQ body x

Cubane_OMe_Ph_Product_iso1 (opt freq)

Bethan Coulson
Gaussian Calculation

Bromine_Tosyl_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

TI4, -701.121091 (13.1) 10.14469/hpc/1528

Henry Rzepa
Gaussian Calculation

Product of 1st cycle -797.021324 (0.0) 10.14469/hpc/1529

Henry Rzepa
Gaussian Calculation

P3HT dodecamer TD 631Gdp

Rolf Andernach
Gaussian Calculation

Mes2-T6-Pt-Porphyrin 6-31Gdp

Rolf Andernach
Gaussian Calculation

TTP _ all trans 631Gdp geom opt

Rolf Andernach
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