1,155 Works

wB97xD 6-311++G(d,p) III-TS5 freq only 10050464

Charles ROMAIN
Gaussian Calculation

6-rule di-isopropylacetic acid + methanol TS -785.744520

Henry Rzepa
Gaussian Calculation

14b 2-Methyl-4-(1-phenylcyclobutyl)phenol

Alexander Boddy
Characterization data for compound 14b 2-Methyl-4-(1-phenylcyclobutyl)phenol

3ah, 4-((1-(4-methoxyphenyl)hept-2-yn-1-yl)(methyl)amino)benzonitrile

Silvia Diez-Gonzalez
NMR data for amine 3ah

3aj, N-(1-(4-methoxyphenyl)hept-2-yn-1-yl)benzamide

Silvia Diez-Gonzalez
NMR data for amide 3aj

27c 2,4-Dimethoxy-1-(1-(4-methoxyphenyl)cyclobutyl)benzene

Alexander Boddy
Characterization data for compound 27c 2,4-Dimethoxy-1-(1-(4-methoxyphenyl)cyclobutyl)benzene

28 2-(1-(4-Chlorophenyl)cyclobutyl)-5-methylfuran

Alexander Boddy
Characterization data for compound 28 2-(1-(4-Chlorophenyl)cyclobutyl)-5-methylfuran

29 3-(1-(4-Methoxyphenyl)cyclobutyl)-1-methyl-1H-indole

Alexander Boddy
Characterization data for compound 29 3-(1-(4-Methoxyphenyl)cyclobutyl)-1-methyl-1H-indole

31 4-(1-(4-(Trifluoromethyl)phenyl)cyclobutyl)benzene-1,3-diol

Alexander Boddy
Characterization data for compound 31 4-(1-(4-(Trifluoromethyl)phenyl)cyclobutyl)benzene-1,3-diol

32 Methyl 2-(4-hydroxy-3-(1-(4-(trifluoromethyl)phenyl)cyclobutyl)phenyl)acetate

Alexander Boddy
Characterization data for compound 32 Methyl 2-(4-hydroxy-3-(1-(4-(trifluoromethyl)phenyl)cyclobutyl)phenyl)acetate

3gn, (E)-benzyl(1,3-diphenylallyl)sulfane

Silvia Diez-Gonzalez
NMR data for thioether 3gj

5a Benzyl 3-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate

Alexander Boddy
Characterization data for compound 5a Benzyl 3-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate

5a Benzyl 3-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate

Alexander Boddy
Characterization data for compound 5a Benzyl 3-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate

test

Alexander Boddy
test

test

Henry Rzepa
test

Haloamidines, NN cyclisation , SN2 displacement at N IRC

Henry Rzepa
Gaussian Calculation

Test of babel

Simon Clifford
sdfsdfr

Test of new production

Simon Clifford
fdfg

4pzMe (1,3,5-trimethyl-4-(phenyldiazenyl)-1H-pyrazole)

Rosina S. L Gibson
Acid studies on 4pzMe

Co(II)-Tetraphenylporphyrin, +1 singlet, flattened Ph freq S4 E= -3294.79769563 G=-3294.249729 (+48.2 or 67.1)

Henry Rzepa
Gaussian Calculation

Co(II)-Tetraphenylporphyrin, -1 singlet, D2d sym G=-3294.672554, 1 -ve FC

Henry Rzepa
Gaussian Calculation

Molecular models associated with Mauveine

Henry Rzepa

4-Me DBT sulfone

Jochen Brandt
oxidation of thiophene with AcOH and H2O2

Co(II)-Tetraphenylporphyrin, -1 triplet, C2, up-down-up-down G=-3294.600973, excited state

Henry Rzepa
Gaussian Calculation

Co(II)-Tetraphenylporphyrin, -1 triplet C2 E=-3295.20816461 G=-3294.681340

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2019
    1,155

Resource Types

  • Dataset
    1,155

Affiliations

  • Imperial College London
    1,155
  • University of Bristol
    4
  • University College London
    3
  • University of Oxford
    2
  • University of Kansas
    1
  • Plymouth University
    1
  • National Museum of Natural History
    1
  • Huazhong University of Science and Technology
    1
  • Institute of Automation
    1
  • Royal Botanic Gardens
    1