1,445 Works

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

11B. B2Pin2 in thf B3LYP+GD3BJ

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

He atom NMR, -2.919596, 60.0208

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

H3BNEt3 in thf

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.

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
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

LiBH4. 3thf, aug-pcSseg-2 thf

Henry Rzepa
Gaussian Calculation

Zn.Ru-H2

Samantha Lau
MestReNova file

Mg.Ru-H2 NMR

Samantha Lau
MestReNova file

Triphenyl borate, aug-pcSSeg-1 chloroform

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

test

Matthew Harvey
test

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

Luis Casarrubios
NMR data for compound 4fa

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