Imperial College London

BL.IMPERIAL

5,383 Works

multiple file upload 1

Matthew Harvey
Results published via Imperial College London
multiple file upload 1
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/182 Cite

embargoed 1

Matthew Harvey
Work published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/188 Cite

embargoed 1

Matthew Harvey
Work published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/190 Cite

embargoed 1

Matthew Harvey
Work published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/194 Cite

embargoed 1

Matthew Harvey
Work published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/195 Cite

embargoed 2

Matthew Harvey
Results published via Imperial College London
embargo test
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/197 Cite

C9H15NO6

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
blog
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191769 Cite

C 1 H 3 F 1 -2

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
# freq wb97xd/gen scrf=(cpcm,solvent=water) opt geom=connectivity inte
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191919 Cite

O2(2+)

Henry S Rzepa & Henry S Rzepa
Gaussian Job Archive published via Imperial College London
blog
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191907 Cite

C 1 H 4 -2

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
# wB97XD/gen pop(nboread,savenbos) scrf(cpcm,solvent=water) integral=(
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191891 Cite

F 3 N 1 S 1

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
# wB97XD/Def2TZVP opt freq output=wfn pop(savenbos)
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191808 Cite

C 9 H 16 Cl 1 N 1 O 6

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
blog
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191794 Cite

F 2 N 1 P 1

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
# wB97XD/Def2TZVP opt output=wfn pop(savenbos)
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191814 Cite

Test

Wouter Mooij
Results published via Imperial College London
Test
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/218 Cite

C5H6

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
blog
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191871 Cite

C 2 H 6 Cr 2 N 4

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
# CASSCF(10,10)/6-311G(d) output=wfn pop=NO density=current scf(conver
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191857 Cite

C18H30Br6

Henry S Rzepa
Gaussian Job Archive published via Imperial College London
Genaev
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191788 Cite

C 60 H 74 Sn 2

Henry S Rzepa & Henry S Rzepa
Gaussian Job Archive published via Imperial College London
blog
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191838 Cite

Chempound@Imperial-chemistry

Henry Rzepa
Results published via Imperial College London
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/239 Cite

dataset 1

Matthew Harvey
Results published via Imperial College London
a test commandline deposition
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/226 Cite

dataset 1

Matthew Harvey
Results published via Imperial College London
a test commandline deposition
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/227 Cite

QTAIM Analysis for C2

Henry Rzepa
Results published via Imperial College London
A CASSCF(12,12)/Def2-TZVPP calculation, with geometry optimisation of C2.
1 citation
No usage information was reported.
https://doi.org/10.14469/hpc/242 Cite

CN(1+)

Henry S Rzepa & Henry S Rzepa
Gaussian Job Archive published via Imperial College London
blog
No citations were reported. No usage information was reported.
https://doi.org/10.14469/ch/191844 Cite

Multiple file upload test 1

Matthew Harvey
Results published via Imperial College London
multiple file upload test 1
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/181 Cite

Transition states for deprotonation of 6-nitro-1,3-dimethylindolin-2-one.

Henry Rzepa
Results published via Imperial College London
KIE calculated using the B3LYP+D3/Def2-TZVPP/SCRF=water method
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/209 Cite

Registration Year

  • 2016
    5,383

Resource Types

  • Collection
    3,740
  • Dataset
    1,547
  • Text
    15

Affiliations

  • Imperial College London
    1,615

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