1,442 Works

The White City Reactants , ionized, Def2-TZVPPD -649.833372

Henry Rzepa
Gaussian Calculation

XIV(D) as per Figure S42

Charles ROMAIN
Gaussian Calculation

IX(L) as per Figure S42

Charles ROMAIN
Gaussian Calculation

3Br2 + 2,4,6-tributylbenzene in CCl4, TS2, ΔG= -16149.109823 ΔΔG=18.0

Henry Rzepa
Gaussian Calculation

ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X TS via zwitterionic starting point -402.063811

Henry Rzepa
Gaussian Calculation

Peracetic acid epoxidation of trans-dicyanopropene.

Henry Rzepa
Gaussian 16 Calculations

Peracid epoxidation of cis-dicyanopropene, Def2-TZVPPD/DCM/M062X, Reactant -606.524951

Henry Rzepa
Gaussian Calculation

Peracetic acid epoxidation of cis-dicyanopropene.

Henry Rzepa
Gaussian 16 calculations

Ethanimidoperoxoic acid epoxidation of propene

Henry Rzepa
Gaussian 16 calculation

6bc, Dimethyl 5-{[(4-chlorophenyl)amino]methyl}-D2-pyrazoline-3,5-dicarboxylate

Silvia Diez-Gonzalez
NMR data for pyrazoline 6bc

4jc, Methyl 1-[2-(methoxycarbonyl)thiophen-3-yl]aziridine-2-carboxylate

Silvia Diez-Gonzalez
NMR data for aziridine 4jc

BF3. Et2O in water wB97XD/aug-cc-pvdz, B Isotropic = 111.3276

Henry Rzepa
Gaussian Calculation

YU14 SSRR conf1

Masih Nilforoushan
Gaussian Calculation

Methane test

Luis Casarrubios
Gaussian Calculation

Test3

Masih Nilforoushan
Gaussian Calculation

ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X Reactant, ionic -402.096645

Henry Rzepa
Gaussian Calculation

DataCite search for CC0 rights

Henry Rzepa

tris(2,2,2-trifluoroethyl) borate, anti, anti, anti wB97XD/aug-pcSseg-1/scrf=chloroform

Henry Rzepa
Gaussian Calculation

Cr4 H8 YQC convergence, triplet, C2v, TPSSh Def2-TZVPP MO

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

(R)-((1Ã�»4-pyrrolidin-2-yl)methyl)boronic acid hydrochloride

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2018
    1,442

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  • Imperial College London
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