1,650 Works

Neutral reactant, CN contraction IRC

Henry Rzepa
Gaussian Calculation

NHC wfn

Henry Rzepa
Gaussian Calculation

3iso_Furan _Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

3iso_Furan _Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

2_Furan _Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_A_Tosyl_1 (IRC)

Bethan Coulson
Gaussian Calculation

A_Tosyl_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_C_toluene_1 (IRC)

Bethan Coulson
Gaussian Calculation

XML registration with re3data

Andrew McLean
Registry of Research Data Repositories (www.re3data.org). XML submission

9-Cl...HOMe x-ray conformation methanol TS Def2-TZVPPD lower conformation

Henry Rzepa
Gaussian Calculation

Cubane_SO2py_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

nh4OH, 9 waters IRC NH3 product

Henry Rzepa
Gaussian Calculation

O_Tosyl_isoTS_2 (opt ts freq)

Bethan Coulson
Gaussian Calculation

Silyltransfer_1 (opt modred)

Bethan Coulson
Gaussian Calculation

isoA_SO2py_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

3_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_3_Furan_1 (IRC)

Bethan Coulson
Gaussian Calculation

OAcAxial_TS3_2 (like OAcAxial_1 but more space) (ts)

Bethan Coulson
Gaussian Calculation

TS1_1 (based on HR fluoride desilylation) (ts)

Bethan Coulson
Gaussian Calculation

TS1 NBO

Henry Rzepa
Gaussian Calculation

chlorobenzene

Matthew Harvey
Gaussian Calculation

Int1 NBO

Henry Rzepa
Gaussian Calculation

chlorobenzene

Matthew Harvey
Gaussian Calculation

chlorobenzene

Matthew Harvey
Gaussian Calculation

B(NHMe)3 + RCO2H TS TZVPP, no PT

Henry Rzepa
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 Gothenburg
    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