Imperial College London

BL.IMPERIAL

19,763 Works

Google

Matthew Harvey
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/136 Cite

Google

Matthew Harvey
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/139 Cite

deposition 1

Matthew Harvey
Results published via Imperial College London
my dfirst dep
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/131 Cite

Taxol

Henry Rzepa
Results published via Imperial College London
Compounds derived from Taxol
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/145 Cite

11 water 6-311++G(d,p)

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/371 Cite

No description

Matthew Harvey
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/413 Cite

No description

Matthew Harvey
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/416 Cite

No description

Matthew Harvey
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/418 Cite

No description

Matthew Harvey
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/420 Cite

hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

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/383 Cite

SOBWAH, XeF5 wfn DZP anion

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/664 Cite

B(NHMe)3 + RCO2H TS TZVPP, no PT

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/717 Cite

Chemical Science and Data Repository Design

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/646 Cite

11B NMR chemical shifts computed at the wB97XD/aug-cc-pvDZ/SCRF=solvent method.

Henry Rzepa
Results published via Imperial College London
Calculated 11B NMR chemical shifts and measured values. NMR Spectra. Version 11 of the Mestrenova software is required to process these latter files, available from http://mestrelab.com/software/mnova/download/ Download the .mnpub signature file and load it into MestreNova to view the spectra. To view datasets obtained here, Mestrenova need not be licensed.
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/935 Cite

B_isoTS_CF3_1 (ts)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/899 Cite

isoEa_Product_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/900 Cite

Eb_Reactant_1 (opt freq)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/902 Cite

TS1_enolate_3 (opt modred)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/908 Cite

A hexagonal planar transition metal complex

Martí Garçon
Results published via Imperial College London
Nature paper. PdMg hexagonal planar. Martí Garçon
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/5985 Cite

12-epoxide product freq

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/679 Cite

12 reactant ...HOMe x-ray conformation methanol Def2-TZVPPD freq

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/680 Cite

1,4 shift with 2H2O + HCl p-Cl-Ph-N + acetyl N-N cleavage TS G=-1700.584621 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/5981 Cite

1,4 shift with 2H2O + HCl, p-Cl-Ph-N + acetyl TS G=-1700.577871 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/5965 Cite

How does an OH or NH group approach an aromatic ring to hydrogen bond with its π-face?

Henry Rzepa
Results published via Imperial College London
Query for use with Conquest software and the CSD database
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/673 Cite

TS2Berry_enolate_4 (opt modred bonds and angle)

Bethan Coulson
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/671 Cite

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