1,442 Works

XII(D) - M062X as per Table S5

Charles ROMAIN
Gaussian Calculation

OC: TS3 -1544.789535 IRC

Henry Rzepa
Gaussian Calculation

Al.Ru H2 NMR

Samantha Lau
MestReNova

borate amidation. TI1 formed from two reactants -1135.376412 ΔΔG 0.0

Henry Rzepa
Gaussian Calculation

Mg.Ru H2

Samantha Lau
ChemDraw

Search for JCAMP-DX

Henry Rzepa

Search for JCAMP-DX

Henry Rzepa

Search for JCAMP-DX

Henry Rzepa

test

Matthew Harvey
test

FAIR Data Figure. Mechanistic insights into boron-catalysed direct amidation reactions

Henry Rzepa
A FAIR data table using ORE metadata to recover data directly from a repository

The White City TS1 with extra amine -649.702436

Henry Rzepa
Gaussian Calculation

Search for JCAMP-DX

Henry Rzepa

Search for JCAMP-DX

Henry Rzepa

tris(2,2,2-trifluoroethyl) borate, gauche,gauche,gauche, C3

Henry Rzepa
Gaussian Calculation

RAKLOF tri-selenide

Henry Rzepa
Gaussian Calculation

NMR calculations on Yu14

Masih Nilforoushan
Portal project

LiBH4. 3thf, aug-pcSseg-2 thf IOP(3/32=2)

Henry Rzepa
Gaussian Calculation

A spatial mechanistic approach to forecasting extinction debt

Samuel Thompson
Habitat loss leads to extinction of species, both immediately upon habitat clearing, and gradually while an âextinction debtâ is repaid. Predicting such species losses requires understanding the interplay of community dynamics and habitat structure across temporal and spatial scales. This has proved challenging to treat analytically and problematic species-area relationship approaches have prevailed. Here we develop new analytical results, based on a mechanistic model, for estimating species losses in response to habitat loss. We find...

peracid epoxidation of aminoethene, Reactant -438.079532

Henry Rzepa
Gaussian Calculation

Masih Nilforoushan GS for atropisomerisation C-C -1760.354991

Henry Rzepa
Gaussian Calculation

Test Data Collection

Thomas Cridford
Test description for data collection. Version 1.

Rapid Assembly of Saturated Nitrogen Heterocycles in One-Pot: Diazo-Heterocycle '˜Stitching'™ by N-H Insertion and Cyclization

Alexander Boddy
Methods that provide rapid access to new heterocyclic structures in biologically relevant chemical space provide important opportunities in drug discovery. Here, a strategy is described for the preparation of 2,2-disubstituted azetidines, pyrrolidines, piperidines and azepanes bearing ester and diverse aryl substituents. A one-pot rhodium catalyzed NâH insertion and cyclization sequence uses diazo compounds to stitch together linear 1,m-haloamines (m = 2 to 5) to rapidly assemble 4-, 5-, 6- and 7-membered saturated nitrogen heterocycles in...

YU14 SSSS conf4

Masih Nilforoushan
Gaussian Calculation

XIII(D)-TS as per Figure S42

Charles ROMAIN
Gaussian Calculation

Registration Year

  • 2018
    1,442

Resource Types

  • Dataset
    1,348
  • Collection
    94

Affiliations

  • Imperial College London
    1,442
  • University of Manchester
    3
  • University of London
    3
  • Yale University
    2
  • University of Leicester
    2
  • University of Oxford
    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