195,943 Works

Borate amidation. TS0, N to O PT b3lyp+GD3BJ via MeNH2 carrier IRC

Henry Rzepa
Gaussian Calculation

Borate amidation. TS0, N to O PT b3lyp+GD3BJ via NH3 carrier IRC

Henry Rzepa
Gaussian Calculation

Borate amidation. TS1, N to O PT b3lyp+GD3BJ via MeNH2 carrier

Henry Rzepa
Gaussian Calculation

Borate amidation. TS1, N to O PT b3lyp+GD3BJ via NH3 carrier IRC

Henry Rzepa
Gaussian Calculation

(E)-6-((((E)-4-(4-cyanophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one

Henry Rzepa
Calculated energies and properties of reactions involving Bronsted acid promoted Oxonium Prins Reactions.

(E)-6-((((E)-4-(4-aminophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one

Henry Rzepa
Calculated energies and properties of reactions involving Bronsted acid promoted Oxonium Prins Reactions.

(E)-6-((((E)-4-(4-nitrophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one

Henry Rzepa
Calculated energies and properties of reactions involving Bronsted acid promoted Oxonium Prins Reactions.

(E)-6-((((E)-4-(4-methoxyphenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one

Henry Rzepa
Calculated energies and properties of reactions involving Bronsted acid promoted Oxonium Prins Reactions.

(E)-6-((((E)-4-(phenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one

Henry Rzepa
Calculated energies and properties of reactions involving Bronsted acid promoted Oxonium Prins Reactions.

(E)-6-((((E)-4-(4-chlorophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one

Henry Rzepa
Calculated energies and properties of reactions involving Bronsted acid promoted Oxonium Prins Reactions.

HDA-2+4 mechanism,TS1, cis + HCl, p=OMe -1383.403206

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism,TS1, cis + HCl, p=NO2 -1473.441563

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, Product, trans + HCl, p=NO2 -1473.480304

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, Product, trans + HCl, p=CN -1361.169219

Henry Rzepa
Gaussian Calculation

Borate amidation. TI1 WFN for ELF analysis.

Henry Rzepa
Gaussian Calculation

Borate amidation. TS1, N to O PT wB97XD IRC

Henry Rzepa
Gaussian Calculation

Borate amidation. TI2, N to O PT b3lyp+GD3BJ via NH3 carrier -1191.956917

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, Product, trans + HCl, p=Cl -1728.519923

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, Product, trans + HCl, p=OMe -1383.430568

Henry Rzepa
Gaussian Calculation

HDA-2+4 mechanism, Product, trans + HCl, p=NH2 -1324.254788

Henry Rzepa
Gaussian Calculation

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