1,445 Works

XIV(L) as per Figure S42

Charles ROMAIN
Gaussian Calculation

11B. B2Pin2 in CDCl3 B3LYP+GD3BJ

Henry Rzepa
Gaussian Calculation

4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane)

Henry Rzepa
Gaussian Calculation and Experimental NMR raw/primary data in Mnova and JCAMP-DX spectral processed form.

Triethyl borane wB97XD aug-pcSseg-1 88.2

Henry Rzepa
Gaussian Calculation

peracid expoxidation of propene, Def2-TZVPPD/DCM/M062X IRC

Henry Rzepa
Gaussian Calculation

Reactant 2nd cycle + H2O -1485.912349 (-5.5) 10.14469/hpc/3579, Ph

Henry Rzepa
Gaussian Calculation

Thermal Azide-Alkene Cycloaddition Reactions: Straightforward Multi-gram Access to 1,2,3-Triazolines in Deep Eutectic Solvents

Silvia Diez-Gonzalez
Data related to the group's work on azide-alkene cycloaddition reactions in Deep Eutectic Solvents

Azide-Alkene: NMR Data

Silvia Diez-Gonzalez
NMR Data

Zn.Ru-H2

Samantha Lau
MestReNova file

Mg.Ru-H2 NMR

Samantha Lau
MestReNova file

BNB, Product + MeNH2 + unbound amide -1102.398759

Henry Rzepa
Gaussian Calculation

Search for Gibbs (free) Energy + InChI Key

Henry Rzepa

4na, 1-(4-methoxyphenyl)-2-phenylaziridine

Luis Casarrubios
NMR data for compound 4na

Delphinidin, basic, 5'; -1103.871125 22.2

Henry Rzepa
Gaussian Calculation

DataCite searches enabled using the Subject Scheme element

Henry Rzepa
A selection of searches exploiting the use of Subject in the DataCite schema

Search for JCAMP-DX

Henry Rzepa

OC: 4d NMR(spinspin,mixed) def2-tzvpp

Henry Rzepa
Gaussian Calculation

OC: TS3, C-C bond formation with di-isopropyl amine present IRC

Henry Rzepa
Gaussian Calculation

OC: Reactant, part 3 -1140.316904

Henry Rzepa
Gaussian Calculation

OC: TS5 C-Cl cleavage to form carbene in the presence of di-isopropyl amine -1837.101534

Henry Rzepa
Gaussian Calculation

OC: TS4, cyclopropyl C-C bond formation in the presence of di-isopropyl amine -1837.175350

Henry Rzepa
Gaussian Calculation

BOB cycle, TS3 for catalyst regeneration O-B, amine on OH => Ionic Intermediate -1083.041324

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2018
    1,445

Resource Types

  • Dataset
    1,313
  • Collection
    95
  • Text
    37

Affiliations

  • Imperial College London
    1,445
  • University of Manchester
    3
  • University of London
    3
  • University of Oxford
    3
  • Yale University
    2
  • University of Leicester
    2
  • National University of San Marcos
    1
  • Plymouth University
    1
  • École Française d'Extrême-Orient
    1
  • Guy's and St Thomas' NHS Foundation Trust
    1