1,445 Works

XIV(L) as per Figure S42

Charles ROMAIN
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/3811 Cite

11B. B2Pin2 in CDCl3 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/3673 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

Triethyl borane wB97XD aug-pcSseg-1 88.2

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/3771 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

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

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/3579 Cite

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

Silvia Diez-Gonzalez
Results published via Imperial College London
Data related to the group's work on azide-alkene cycloaddition reactions in Deep Eutectic Solvents
1 citation
No usage information was reported.
https://doi.org/10.14469/hpc/4062 Cite

Azide-Alkene: NMR Data

Silvia Diez-Gonzalez
Results published via Imperial College London
NMR Data
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4064 Cite

(E)-8-(3-methylbuta-1,3-dien-1-yl)tetrahydro-8H-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole in chloroform 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/3920 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

BNB, Product + MeNH2 + unbound amide -1102.398759

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/4561 Cite

Search for Gibbs (free) Energy + InChI Key

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4554 Cite

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

Luis Casarrubios
Results published via Imperial College London
NMR data for compound 4na
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4400 Cite

Delphinidin, basic, 5'; -1103.871125 22.2

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/4498 Cite

DataCite searches enabled using the Subject Scheme element

Henry Rzepa
Results published via Imperial College London
A selection of searches exploiting the use of Subject in the DataCite schema
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4558 Cite

Search for JCAMP-DX

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4576 Cite

B-O-B system. TS4' using MeNH2 as carrier instead of MeCO2H, B-O cleavage RP, lower than -1082.976160 TS, cartesian -1082.979733 CF3CH2O-B -1907.988246

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/4619 Cite

OC: 4d NMR(spinspin,mixed) 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/4655 Cite

OC: TS3, C-C bond formation with di-isopropyl amine present 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/4667 Cite

OC: Reactant, part 3 -1140.316904

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/4703 Cite

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

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/4641 Cite

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

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/4663 Cite

BOB cycle, TS3 for catalyst regeneration O-B, amine on acid freq -1082.997352, 15.8 lower than TS2, +8.7 above reactant

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/4451 Cite

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

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/4452 Cite

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