6,970 Works

H4++ tetrahedral Def2TZVPP CASSCF(2,5) + MP2 freq

Henry Rzepa
Gaussian Calculation

12S-oxonium cation NBO

Henry Rzepa
Gaussian Calculation

C4 ++ Td

Henry Rzepa
Gaussian Calculation

N8 Oh

Henry Rzepa
Gaussian Calculation

C4 Td CCSD(T)

Henry Rzepa
Gaussian Calculation

C4 Td CASSCF(8,9)

Henry Rzepa
Gaussian Calculation

N4 Td NMR

Henry Rzepa
Gaussian Calculation

Unusual hydrogen bonding. Ammonium tetraphenylborate.

Henry Rzepa
Conquest search query for aryl...H hydrogen bonding

AMPHEB Cs

Henry Rzepa
Gaussian Calculation

norbornyl B2PLYPD3/Def2-TZVPP

Henry Rzepa
Gaussian Calculation

Cyclobutadiene quintet for Kekule mode

Henry Rzepa
Gaussian Calculation

Bromine_Tosyl_Reactant_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_Bromine_Tosyl_iso1 (IRC)

Bethan Coulson
Gaussian Calculation

IRC_isoB_Tosyl_1 (IRC)

Bethan Coulson
Gaussian Calculation

Xiv_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

P_Tosyl_isoTS_5 (opt ts freq)

Bethan Coulson
Gaussian Calculation

isoG_SO2py_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

IRC_ENE_e_1 (IRC) fine, too short

Bethan Coulson
Gaussian Calculation

IRC_H_1 (IRC)

Bethan Coulson
Gaussian Calculation

H_SO2py_isoTS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

H_SO2_TS_1 (opt ts freq)

Bethan Coulson
Gaussian Calculation

IRC_isoFa_1 (IRC)

Bethan Coulson
Gaussian Calculation

IRC_Fa_1 (IRC)

Bethan Coulson
Gaussian Calculation

isoB_SO2py_Product_1 (opt freq)

Bethan Coulson
Gaussian Calculation

TS1enolate_Reactants_1 (opt freq)

Bethan Coulson
Gaussian Calculation

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