1,650 Works

cisSM_2 (opt)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1027 Cite

transSM_NMR_1 (NMR)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1028 Cite

isoN_tosyl_Reactant_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1047 Cite

TS for 2,3-epoxidation of 1,3-di-tert-butyl 1,2-epoxybromoallene by DMDO, TZVP basis set

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/1056 Cite

RUWFOE model of two boron units Diels Alder cycloaddition, TS with Me replacing NHMe twice

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/1058 Cite

TS3, PT -720.492459 (21.1) 10.14469/hpc/1256, IRC 10.14469/hpc/1059

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
1 citation
No usage information was reported.
https://doi.org/10.14469/hpc/1059 Cite

TI2, -739.863764 (21.6) 10.14469/hpc/1061

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/1061 Cite

Reactant for 1,3-di-tert-butyl 1,2-epoxybromoallene, 2,3-epoxidation wth DMDO.

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/1064 Cite

S_indole_TS_1 (opt modred)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1067 Cite

Q_Lactone_isoTSchair_2 (opt ts freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1070 Cite

IRC_isoP_Tosyl_1 (IRC)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1081 Cite

IRC_O_Tosyl_1 (IRC)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1083 Cite

P1aTS

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1086 Cite

TS2_SN2enolate_6 (opt ts freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1089 Cite

TS1 -720.505509 (12.9) 10.14469/hpc/1096, 10.14469/ch/195262

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
1 citation
No usage information was reported.
https://doi.org/10.14469/hpc/1096 Cite

P_Tosyl_Product_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1098 Cite

isoO_Tosyl_Product_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1099 Cite

isoO_Tosyl_Reactant_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1101 Cite

IRC_S_indole_1 (IRC)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1107 Cite

Q_Lactone_boat_Reactant_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1132 Cite

TS1_SN2enolate_5 (opt minus scan)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1133 Cite

TS2_SN2enolate_8 (opt scan decrease)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1136 Cite

1,4-ciscis_Lactone_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1140 Cite

TS2_SN2enolate_9 (opt scan decrease)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1142 Cite

Computed relative reaction free energies of Obtusallene derived oxonium and chloronium cations

Henry Rzepa
Results published via Imperial College London
Computed relative reaction free energies of Obtusallene derived oxonium and chloronium cations
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1143 Cite

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
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