531 Works

CC wB97XD/Def2-SVPD SCRF=DCM, G = -75.791996

Henry Rzepa
Gaussian Calculation

Molnupiravir, oxime form G = -1197.919711 DG = -0.85

Henry Rzepa
Gaussian Calculation

Molnupiravir, enol form G = -1197.891638

Henry Rzepa
Gaussian Calculation

PhIC10 ring closure reactant, Def2-SVPD, SCRF=DCM, G = -909.256969

Henry Rzepa
Gaussian Calculation

phenoxy radical, wB97XD/Def2-SVPD G = -306.455338

Henry Rzepa
Gaussian Calculation

PhIC6 ring closure, 1,1-TS, Def2-SVPD, SCRF=DCM G = -757.040878 DG = 62.4

Henry Rzepa
Gaussian Calculation

PhICC + CCCCIPh, branched mode to produce C5 chain, syn G = -1286.086804

Henry Rzepa
Gaussian Calculation

PhICC + CCCCIPh, branched mode to produce C5 chain, anti, G = -1286.077648

Henry Rzepa
Gaussian Calculation

PhICC + CCCCCCCCIPh 1,2 -TS Def2-SVPD/CPCM=DCM, G = -1438.194739, DG = 24.1

Henry Rzepa
Gaussian Calculation

GADMOO, Na => K, I4 unit (symmetrical) E = -29905.1426773 I-I 3.298

Henry Rzepa
Gaussian Calculation

PhBrCC + CCBrPh 1,2, Def2-SVPD/SCRF=DCM, -TS, G = -5762.262426, DG = 13.3

Henry Rzepa
Gaussian Calculation

PhAtCC + CCAtPh 1,2 -TS C2h, G = -1139.591210

Henry Rzepa
Gaussian Calculation

G2H, sup/dis, IRC

Henry Rzepa
Gaussian Calculation

G2J con/ant IRC

Henry Rzepa
Gaussian Calculation

PhICC + H-CHCl2 1,1-TS, G = -1564.345413, ΔG = 38.7, IRC

Henry Rzepa
Gaussian Calculation

Shanghai_Surge

Shuai Wang
Shanghai surge paper data. This data set can be used to reproduce a paper submitted to the Geophysical Research Letters on storm surge sensitivity to poleward migration and landfall intensity of tropical cyclones.

Ph-cho-Stevens, TS1, 1,2 with retention \"forbidden\", RHF, Def2-SVP, G = -596.755086, DG = 48.2

Henry Rzepa
Gaussian Calculation

R-substructure-10g conf 1

Alan Armstrong
Gaussian Calculation

Cl(-) + CHMeBr = ClCHMe + Br(-) Methanol

Henry Rzepa
Gaussian Calculation

DCM + CC, triplet, CCSD/Def2-SVPD TS

Henry Rzepa
Gaussian Calculation

Query builder for metadata search : NMR data

Charles ROMAIN
This form enables metadata searching using DataCite Search (http://commons.datacite.org). It will search for metadata assigned to a DOI (PID) using the DataCite Metadata Schema 4.3 (DOI: https://doi.org/10.14454/7xq3-zf69

Molnupiravir, hydroxylamine tautomer G = -1197.918549

Henry Rzepa
Gaussian Calculation

IR Data

Richard Yuze Kong
IR Spectra

Coordinates

Richard Yuze Kong
Calculated structures.

Deltamethrin, S,R,R G = -6278.769188 TD(nstates=100)

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2021
    531

Resource Types

  • Dataset
    531

Affiliations

  • Imperial College London
    531
  • University of Cambridge
    3
  • University of Oxford
    3
  • Estación Biológica de Doñana
    2
  • Zhejiang University
    2
  • Johns Hopkins University
    2
  • University of Minnesota
    2
  • Pontificia Universidad Católica del Ecuador
    2
  • Natural History Museum
    2
  • Zoological Society of London
    2