1,349 Works

Product -987.150773 (+0.3) 10.14469/hpc/1899 unbound amide -987.153713

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/4466 Cite

azide-4-CF3 (TS214b)

Luis Casarrubios
Results published via Imperial College London
azide-4-CF3 (TS214b)
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4486 Cite

azide-4-COOMe (TS214a)

Luis Casarrubios
Results published via Imperial College London
azide-4-COOMe + styrene
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4489 Cite

B-O-B system. TS0 using MeNH2 as carrier instead of MeCO2H,no B-O cleavage TS -1082.990766

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/4494 Cite

Delphinidin, basic, 5 -1103.900461 3.8

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/4496 Cite

Two_Tank_Digraph_Code_and_Data_David_Leng_17072018

David Leng
Results published via Imperial College London
The code and data to solve the two-tank controller connectivity problem posed in: Root cause diagnosis of plant-wide oscillations using the concept of % adjacency matrix. Jiang, Patwardahn & Shah, 2009.Journal of Process Control 19 (2009) 1347â1354
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4504 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

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/4512 Cite

MY TEST

Matthew Harvey
Results published via Imperial College London
A TEST DEPOSITION
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/4518 Cite

Xi_Product_2 (opt freq iop)

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/1347 Cite

Cubane_iso2 (opt ts 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/1349 Cite

IRC_Xii_1 (IRC) good but short

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/1353 Cite

isoP_Tosyl_Reactant_2 (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/1363 Cite

Neutral reactant, CN contraction

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/1370 Cite

PCHT_short dodecamer TD M062X 631Gdp

Rolf Andernach
Results published via Imperial College London
Gaussian Calculation
No citations were reported. No usage information was reported.
https://doi.org/10.14469/hpc/1234 Cite

(R)-((1λ4-pyrrolidin-2-yl)methyl)boronic acid hydrochloride

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/3688 Cite

hydroxydimesitylborane

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/3694 Cite

isopropoxydiphenylborane

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/3696 Cite

(S)-4-methyl-8-(4-methyl-2-phenyl-3,6-dihydro-2H-1,2-oxazin-6-yl)dihydro-4λ4,8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione in acetone,b3lyp+GD3BJ/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/3704 Cite

1-methyl-2-phenyl-1,3,2-diazaborinane

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/3711 Cite

Se(Se)4 Wiberg C2v chloroform, 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/3725 Cite

BF3. Et2O in acetone. wB97XD/aug-cc-pvdz, B Isotropic = 111.3147

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/3730 Cite

tert-butyl (R)-2-((1,3,6,2-dioxazaborocan-2-yl)methyl)pyrrolidine-1-carboxylate alt conformation

Henry Rzepa
Results published via Imperial College London
Gaussian Calculation
1 citation
No usage information was reported.
https://doi.org/10.14469/hpc/3742 Cite

tris(2,2,2-trifluoroethyl) borate, gauche,gauche,gauche, C1

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/3749 Cite

2-phenyl-1,3,2-diazaborinane

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/3753 Cite

NF5 D3h

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/3762 Cite

Registration Year

  • 2018
    1,349

Resource Types

  • Dataset
    1,349

Affiliations

  • Imperial College London
    1,349
  • University of Manchester
    3
  • University of London
    3
  • University of Oxford
    3
  • Yale University
    2
  • University of Leicester
    2
  • National University of San Marcos
    1
  • Plymouth University
    1
  • École Française d'Extrême-Orient
    1
  • Guy's and St Thomas' NHS Foundation Trust
    1

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