1,155 Works

Characterisation data for compound 4g

Dan Mihai Mercea
Characterisation data for compound 4g

Characterisation data for compound 5f

Dan Mihai Mercea
Characterisation data for compound 5f

An Ambimodal Trispericyclic Transition State: the effect of solvation?

Henry Rzepa

Me3Si-CC-He(+) Cs wB97XD/6-31G(d,p) G=-487.734479

Henry Rzepa
Gaussian Calculation

C2 synthesis, PhICC product vinylidene => bromo,phenyl,acetylene G= -605.510814

Henry Rzepa
Gaussian Calculation

OC CCSD(T)/Def2-TZVPP G=-112.070113

Henry Rzepa
Gaussian Calculation

LiNBHe(+) CCSD(T)/Def2-TZVPP G= -89.603092 (Li(+) -7.423434, BN -79.283111 , He -2.910906 = -89.617451 ) = -9.0

Henry Rzepa
Gaussian Calculation

Hexa(4-carboxyphenyl)disiloxane_L2-H6

Luke Delmas
Hexa(4-carboxyphenyl)disiloxane_L2-H6

1,1,3,3-tetrakis(4-bromophenyl)-1,3-dimethyldisiloxane_C24

Luke Delmas
1,1,3,3-tetrakis(4-bromophenyl)-1,3-dimethyldisiloxane_C24

hexa(4-bromophenyl)disiloxane_C23

Luke Delmas
hexa(4-bromophenyl)disiloxane_C23

1,1,5,5-tetrakis(4-bromophenyl)-1,3,3,5-tetramethyltrisiloxane_C29

Luke Delmas
1,1,5,5-tetrakis(4-bromophenyl)-1,3,3,5-tetramethyltrisiloxane_C29

(S,E)-5-(5-(Allyloxy)-3-methylpent-3-en-1-yl)-2,2,4,4-tetramethyl-1,3-dioxolane ((S)-5d)

Karim Bahou
((S)-5d)

(S,E)-6,7-Dihydroxy-3,7-dimethyloct-2-en-1-yl acetate (S4)

Karim Bahou
(S4)

Methanol adduct I(c)-MeOH

Charles ROMAIN
Gaussian Calculation

2-Methylnon-2-ene (7h)

Karim Bahou
(7h)

8-(3,3-Dimethyloxiran-2-yl)-6-methyloct-5-en-2-one (8i)

Karim Bahou
(8i)

(R,E)-8-(Allyloxy)-2,6-dimethyloct-6-ene-2,3-diol (Not in MS)

Karim Bahou
Duplication of compound reported in ReXM (Actuated)

(S)-13-(3,3-Dimethyloxiran-2-yl)-3,7,11-trimethyltrideca-2,6,10-trienal (9)

Karim Bahou
(9)

Ethyl 4-ethoxy-3-iodobenzoate (13)

Karim Bahou
(13)

Bromoallene, Def2-SVPD AgOAc complex anti TS acetic acid solvent S-methyl G=-3257.926496 = 3.4

Henry Rzepa
Gaussian Calculation

3-(6-(4-Methoxyphenyl)-3-methylhex-3-en-1-yl)-2,2-dimethyloxirane (8c)

Karim Bahou
(8c)

C2 (SGG) (SGU) (SGG) (SGU) (PIU) (PIU) -75.791996 + -1676.027443 = -1,751.819439 = 68.2

Henry Rzepa
Gaussian Calculation

C2 guess alter 4 7 (SGG) (SGU) (SGG) (PIU) (PIU) (SGG) -75.618220

Henry Rzepa
Gaussian Calculation

Me3Si-CC(+) C3v symmetry imposed CCSD(T)/6-31G(d,p)

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