6,959 Works

TS1enolate_IM2b_1 (opt freq)

Bethan Coulson
Gaussian Calculation

B_SO2py_isoTS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

TS2Berry_enolate_1 (opt modred)

Bethan Coulson
Gaussian Calculation

isoB_CF3_Reactant_2 (iop) (opt freq)

Bethan Coulson
Gaussian Calculation

TS1_enolate_6 (based on _4) (ts)

Bethan Coulson
Gaussian Calculation

isoB_CF3_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

B_TS_NO2_1 (ts)

Bethan Coulson
Gaussian Calculation

B_isoTS_CF3_1 (ts)

Bethan Coulson
Gaussian Calculation

isoEa_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

Eb_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

TS1_enolate_3 (opt modred)

Bethan Coulson
Gaussian Calculation

C_toluene_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_isoEa_1 (IRC)

Bethan Coulson
Gaussian Calculation

TS2_2 (inversion-OAc not F) (ts)

Bethan Coulson
Gaussian Calculation

IRC_isoC_H2O_1 (IRC)

Bethan Coulson
Gaussian Calculation

Anomeric effects at carbon, involving lone pairs originating from one or two nitrogens

Henry Rzepa
A Conquest search query definition

hydroxybis(3,4,5-trifluorophenyl)borane

Henry Rzepa
Gaussian Calculation

B(NHMe)3 + RCO2H TS TZVPP, no PT reactant

Henry Rzepa
Gaussian Calculation

Me2B(NHMe)1 + RCO2H TS TZVPP reactant, no PT

Henry Rzepa
Gaussian Calculation

B(NHMe)3 + RCO2H TS TZVPP, PT reactant

Henry Rzepa
Gaussian Calculation

B(NHMe)3 + RCO2H TS TZVPP, PT IRC

Henry Rzepa
Gaussian Calculation

M_TS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

L_TS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

MeB(NHMe)2(NH2Me) + RCO2H IRC, full extent, forward

Henry Rzepa
Gaussian Calculation

deposition 1

Matthew Harvey
my dfirst dep

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    6,959

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    6,959
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