1,438 Works

H3BNEt3 in chloroform aug-pcSseg-2

Henry Rzepa
Gaussian Calculation

Triethylborane

Henry Rzepa
Gaussian Calculation

hydroxydimesitylborane

Henry Rzepa
Gaussian Calculation

BF3. Et2O in chloroform wB97XD/aug-pcSseg-1, B Isotropic = 102.2969

Henry Rzepa
Gaussian Calculation

tert-butyl (R)-2-((1,3,6,2-dioxazaborocan-2-yl)methyl)pyrrolidine-1-carboxylate alt conformation

Henry Rzepa
Gaussian Calculation

BF3. Et2O in acetone. wB97XD/aug-cc-pvdz, B Isotropic = 111.3147

Henry Rzepa
Gaussian Calculation

Article: Simplifying spectroscopic supplementary data collection

Henry Rzepa

catecholborane, b3lyp+GD3BJ chloroform

Henry Rzepa
Gaussian Calculation

Catecholborane, wB97XD, chloroform

Henry Rzepa
Gaussian Calculation

4,9-dimethoxy-1H,3H-naphtho[1,8-cd][1,2,6]oxadiborinine-1,3-diol, aug-pcSseg-1

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

Product, -1390.053297 (-0.3) 10.14469/hpc/3565, Ph

Henry Rzepa
Gaussian Calculation

HCo6(CO)15 (1-) NBO Wiberg Def2-TZVPPD, H 0.9878, 21.6 ppm

Henry Rzepa
Gaussian Calculation

Curly_arrows

Henry Rzepa
Portal project

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

Henry Rzepa
Gaussian Calculation

Luis

Henry Rzepa
Portal project

BF3. Et2O in methanol, wB97XD/aug-pcSSeg-1, B Isotropic = 102.4836

Henry Rzepa
Gaussian Calculation

peracid epoxidation of cyanoethene, Def2-TZVPPD/DCM/M062X, TS -474.926266 Activation free energy 37.1

Henry Rzepa
Gaussian Calculation

1-methyl-2-phenyl-1,3,2-diazaborinane, wB97Xd/aug-pCSSeg-1/benzene

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, TS1, trans + HCl, p=NH2 IRC

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, Reactant, trans + HCl, p=NO2 -1473.481822

Henry Rzepa
Gaussian Calculation

2-phenyl-1,3,2-diazaborinane

Henry Rzepa
Gaussian Calculation

11B. B(OMe)3 in CDCl3. B3LYP+GD3BJ

Henry Rzepa
Gaussian Calculation

BF3.OEt2 in CDCl3. B3LYP+D3BJ/aug-cc-pvdz, B Isotropic = 107.8027

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2018
    1,438

Resource Types

  • Dataset
    1,345
  • Collection
    93

Affiliations

  • Imperial College London
    1,438
  • University of Manchester
    3
  • University of London
    3
  • Yale University
    2
  • University of Leicester
    2
  • University of Oxford
    2
  • National University of San Marcos
    1
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    1
  • École Française d'Extrême-Orient
    1
  • Guy's and St Thomas' NHS Foundation Trust
    1