Add to ORKGA conformational Study of the energies and geometries of two di-benzo [10]-annulenes, their methylated derivatives and their corresponding bridged valence isomers has been carried out by the semiempirical molecular orbital method AM1. The relative energies of these compounds are strongly dependent on the relative positions of the two benzenoid rings. Interconversions into the corresponding dehydroannulenes were studied. The respective transformations into the corresponding polycyclic benzenoid hydrocarbons were also analyzed
textCCSD(T) has been used in the past to accurately predict compute the spectra and structures of sm...
ABSTRACT The aromatic character of 18(annulene) is maintained in porphin, which is stabilized by the...
Measurements of the absorption, polarized fluorescence, and MCD of 1,6-methano[10]annulene, 1,6:8,13...
A conformational Study of the energies and geometries of two di-benzo [10]-annulenes, their methylat...
Annulenes were studied using the concept of aromatic stabilization. A simple expression is presented...
We have investigated the aromatic properties of seven low-lying isomers of [10]annulene and of the r...
exist in nonplanar conformation and show non-aromatic characteristics.1 Di-trans-[10]annulene is als...
For cyclic conjugated structures, erratic computational results have been obtained with Hartree–Fock...
A large program of ab initio MO studies of conjugated molecules has been completed. A major point o...
Computational investigation of the potential energy surfaces of dehydro[10]- and dehydro[14]annulen...
The ring current and local anisotropic contributions to the 1H chemical shifts of [n]annuleno[m]annu...
Extensive quantum chemical calculations involving more than 20 different methods and including vibra...
CND0/2 calculations lead to a conformation for trans-N-benzylideneaniline in agreement with most of ...
The first tricyclic [12]annulene with an unsubstituted perimeter, namely the blue hydrocarbon 2, cou...
[18]Annulene, (CH)18, is one of the iconic molecules of organic chemistry. Sondheimer’s investigatio...
textCCSD(T) has been used in the past to accurately predict compute the spectra and structures of sm...
ABSTRACT The aromatic character of 18(annulene) is maintained in porphin, which is stabilized by the...
Measurements of the absorption, polarized fluorescence, and MCD of 1,6-methano[10]annulene, 1,6:8,13...
A conformational Study of the energies and geometries of two di-benzo [10]-annulenes, their methylat...
Annulenes were studied using the concept of aromatic stabilization. A simple expression is presented...
We have investigated the aromatic properties of seven low-lying isomers of [10]annulene and of the r...
exist in nonplanar conformation and show non-aromatic characteristics.1 Di-trans-[10]annulene is als...
For cyclic conjugated structures, erratic computational results have been obtained with Hartree–Fock...
A large program of ab initio MO studies of conjugated molecules has been completed. A major point o...
Computational investigation of the potential energy surfaces of dehydro[10]- and dehydro[14]annulen...
The ring current and local anisotropic contributions to the 1H chemical shifts of [n]annuleno[m]annu...
Extensive quantum chemical calculations involving more than 20 different methods and including vibra...
CND0/2 calculations lead to a conformation for trans-N-benzylideneaniline in agreement with most of ...
The first tricyclic [12]annulene with an unsubstituted perimeter, namely the blue hydrocarbon 2, cou...
[18]Annulene, (CH)18, is one of the iconic molecules of organic chemistry. Sondheimer’s investigatio...
textCCSD(T) has been used in the past to accurately predict compute the spectra and structures of sm...
ABSTRACT The aromatic character of 18(annulene) is maintained in porphin, which is stabilized by the...
Measurements of the absorption, polarized fluorescence, and MCD of 1,6-methano[10]annulene, 1,6:8,13...