1,349 Works

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

Henry Rzepa
Gaussian Calculation

azide-4-CF3 (TS214b)

Luis Casarrubios
azide-4-CF3 (TS214b)

azide-4-COOMe (TS214a)

Luis Casarrubios
azide-4-COOMe + styrene

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

Henry Rzepa
Gaussian Calculation

Delphinidin, basic, 5 -1103.900461 3.8

Henry Rzepa
Gaussian Calculation

Two_Tank_Digraph_Code_and_Data_David_Leng_17072018

David Leng
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

MY TEST

Matthew Harvey
A TEST DEPOSITION

Xi_Product_2 (opt freq iop)

Bethan Coulson
Gaussian Calculation

Cubane_iso2 (opt ts freq)

Bethan Coulson
Gaussian Calculation

IRC_Xii_1 (IRC) good but short

Bethan Coulson
Gaussian Calculation

isoP_Tosyl_Reactant_2 (opt freq)

Bethan Coulson
Gaussian Calculation

Neutral reactant, CN contraction

Henry Rzepa
Gaussian Calculation

PCHT_short dodecamer TD M062X 631Gdp

Rolf Andernach
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

hydroxydimesitylborane

Henry Rzepa
Gaussian Calculation

isopropoxydiphenylborane

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

Se(Se)4 Wiberg C2v chloroform, Def2-TZVPP

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

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

Henry Rzepa
Gaussian Calculation

2-phenyl-1,3,2-diazaborinane

Henry Rzepa
Gaussian Calculation

NF5 D3h

Henry Rzepa
Gaussian Calculation

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