7,997 Works

Ethane test #3

Matthew Harvey
Gaussian Calculation

Compound 2

Richard Yuze Kong
NMR Data for Compound 2

Compound 4

Richard Yuze Kong
NMR Data for Compound 4

Compound 5

Richard Yuze Kong
NMR data for Compound 5

II'eq: L-LA on the side, CH face

Charles ROMAIN
Gaussian Calculation

L-LA M06-2X

Charles ROMAIN
Gaussian Calculation

NMR data

Clare Bakewell
Mnova files

Haloamidines, NN cyclisation , Na(H2O)3OH Reactant, neutral -1576.246653

Henry Rzepa
Gaussian Calculation

Data from: Long-term exposure to higher temperature increases the thermal sensitivity of grazer metabolism and movement

Carl S. Cloyed, Anthony I. Dell, Tracie Hayes, Rebecca L. Kordas & Eoin J. O'Gorman
1. Ecological studies of global warming impacts have many constraints. Organisms are often exposed to higher temperatures for short periods of time, probably underestimating their ability to acclimate or adapt relative to slower but real rates of warming. Many studies also focus on a limited number of traits and miss the multifaceted effects that warming may have on organisms, from physiology to behavior. Organisms exhibit different movement traits, some of which are primarily driven by...

Epoxidation, propene

Henry Rzepa
Molden files

23423432

Simon Clifford
sdfsdfsdfsdf

Haloamidines, NN cyclisation , Na(H2O)5OH Reactant, ionic -1729.171537

Henry Rzepa
Gaussian Calculation

IVeq: L-LA on the side, CH face

Charles ROMAIN
Gaussian Calculation

1,3-bis(4-carboxyphenyl)-1,1,3,3-tetramethyldisiloxane_L4-H2

Luke Delmas
1,3-bis(4-carboxyphenyl)-1,1,3,3-tetramethyldisiloxane_L4-H2

(4-bromophenyl)dimethylsilane_C22

Luke Delmas
(4-bromophenyl)dimethylsilane_C22

(S)-2,2,4,4-Tetramethyl-5-(3-methylbut-3-en-1-yl)-1,3-dioxolane ((S)-5f)

Karim Bahou
((S)-5f)

(S)-3-(13-Bromo-3,7,11-trimethyltrideca-3,7,11-trien-1-yl)-2,2-dimethyloxirane (15)

Karim Bahou
(15)

Ethyl 4-hydroxy-3-iodobenzoate (12)

Karim Bahou
(12)

Bromoallene, Def2-SVPD AgOAc complex anti TS acetic acid solvent R-methyl G=-3257.931876 IRC

Henry Rzepa
Gaussian Calculation

1,2 shift after 1,3 shift with N-Me, 2H2O + HCl + acetyl, N3 deprotonated, N-N still intact, G=-1049.179313

Henry Rzepa
Gaussian Calculation

D with dispersion opt conf2 G=-612.312576 optrot -31

Henry Rzepa
Gaussian Calculation

C14 B3LYP/6-31G(d) Kekule mode = 1115 cm-1

Henry Rzepa
Gaussian Calculation

C18 CCSD/6-311G(d) SCF=11 Kekule mode = -4310 cm-1

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2019
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