1,445 Works

peracid epoxidation of cis-dicyanoethene, Def2-TZVPPD/DCM/M062X, reactant -567.234314

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/3623 Cite

Marco, 3b (2, 22 ppm obs) 7.6 calc

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/3656 Cite

11B. B2Pin2 in thf B3LYP+GD3BJ

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/3682 Cite

Se(Se)4 Wiberg C2v chloroform, Def2-TZVPP

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/3723 Cite

He atom NMR, -2.919596, 60.0208

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/3594 Cite

peracid epoxidation of cyanoethene, Def2-TZVPPD/DCM/M062X, Product

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/3611 Cite

CMe3F(2-) Def2-TZVPPD IRC for C-F dissociation

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/3585 Cite

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

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/3601 Cite

7-methyl-2-phenyl-2,3-dihydro-1H-8λ4-[1,3,2]diazaborolo[1,5-a]pyridine

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/3718 Cite

Se(Se)4 Wiberg C2v chloroform, Def2-TZVPP cpcm

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/3727 Cite

H3BNEt3 in thf

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/3680 Cite

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

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation and Experimental NMR raw/primary data in Mnova and JCAMP-DX spectral processed form.
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/3709 Cite

7-methyl-2-phenyl-2,3-dihydro-1H-1λ4,8λ4-[1,3,2]diazaborolo[1,5-a]pyridine in benzene, wB97XD/aug-cc-pvdz

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/3733 Cite

BF3. Et2O in benzene wB97XD/aug-cc-pvdz, B Isotropic = 111.1041

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/3734 Cite

Dichloro polysiphenol, C-C bond, intermediate energy atropisomer, G = -1760.332882, ΔG‡ = 13.9 kcal/mol

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/3886 Cite

7-methyl-2-phenyl-1,2-dihydro-[1,3,2]diazaborolo[1,5-a]pyridine, in benzene B3LYP+GD3BJ

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/3739 Cite

(S)-4-methyl-8-(4-methyl-2-phenyl-3,6-dihydro-2H-1,2-oxazin-6-yl)dihydro-4λ4,8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione in acetone wB97XD/aug-cc-pvDZ

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/3741 Cite

LiBH4. 3thf, aug-pcSseg-2 thf

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/3892 Cite

Zn.Ru-H2

Samantha Lau
Results published via Imperial College London
MestReNova file
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4132 Cite

Mg.Ru-H2 NMR

Samantha Lau
Results published via Imperial College London
MestReNova file
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4133 Cite

Triphenyl borate, aug-pcSSeg-1 chloroform

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/3898 Cite

(R)-((1λ4-pyrrolidin-2-yl)methyl)boronic acid hydrochloride, water, B3LYP+GD3BJ

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/3935 Cite

(M,R,R,R,R)-4, m062x/6-311+G(d,p)/SCRF=chloroform, ORD @ 390nm 370nm 350nm 330nm 310nm 290nm

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/4022 Cite

test

Matthew Harvey
Results published via Imperial College London
test
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4579 Cite

4fa, 1-(4-bromophenyl)-2-phenylaziridine

Luis Casarrubios
Results published via Imperial College London
NMR data for compound 4fa
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4394 Cite

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

About DataCite

Services

Resources

Community