The geometries of the cycloarenes 1–6 with 9–12 annelated benzene rings are determined by means of a π-SCF force-field approach. 1H-chemical shifts are calculated by taking into account ring current and local anisotropic contributions. The importance of annulenoid resonance structures is discussed
Abstract: The title journey is undertaken at the levels of both theory and experiment. Since 1983, h...
Conformational equilibrium in medium-sized rings has been investigated by the temperature variation ...
Suprafacial sigmatropic shift reactions of 5-substituted cyclopentadienes, 3-substituted cycloprope...
The 1H chemical shifts of the polycyclic alternant hydrocarbons bicyclo[6.2.0]decapentaene, cyclooct...
The molecular structure of kekulene (1) was determined by X-ray structure analysis. From the bond le...
RHF calcns. have been carried out for 1,3,5-cycloheptatriene, norcaradiene, 1H-azepine, benzenimine ...
A conformational Study of the energies and geometries of two di-benzo [10]-annulenes, their methylat...
Recently synthesized septulene is a unique cycloarene molecule in that no macrocyclic conjugation ci...
by Cheng Kin Tak Samuel.Thesis (M.Ph.)--Chinese University of Hong Kong, 1988.Bibliography: leaves 6...
The molecular structure of kekulene (1) was determined by X‐ray structure analysis. From the bond le...
previous model for the calculation of C-13 chemical shifts is modified by replacement of 3 parameter...
[10]cyclophenacene is an important synthetic target that shows a pair of NICS values for the center ...
In this lecture, an account is presented of new methodology which permits quantitative assessment of...
The ring current and local anisotropic contributions to the 1H chemical shifts of [n]annuleno[m]annu...
This study uses methods in computational chemistry to study two different systems. The first are the...
Abstract: The title journey is undertaken at the levels of both theory and experiment. Since 1983, h...
Conformational equilibrium in medium-sized rings has been investigated by the temperature variation ...
Suprafacial sigmatropic shift reactions of 5-substituted cyclopentadienes, 3-substituted cycloprope...
The 1H chemical shifts of the polycyclic alternant hydrocarbons bicyclo[6.2.0]decapentaene, cyclooct...
The molecular structure of kekulene (1) was determined by X-ray structure analysis. From the bond le...
RHF calcns. have been carried out for 1,3,5-cycloheptatriene, norcaradiene, 1H-azepine, benzenimine ...
A conformational Study of the energies and geometries of two di-benzo [10]-annulenes, their methylat...
Recently synthesized septulene is a unique cycloarene molecule in that no macrocyclic conjugation ci...
by Cheng Kin Tak Samuel.Thesis (M.Ph.)--Chinese University of Hong Kong, 1988.Bibliography: leaves 6...
The molecular structure of kekulene (1) was determined by X‐ray structure analysis. From the bond le...
previous model for the calculation of C-13 chemical shifts is modified by replacement of 3 parameter...
[10]cyclophenacene is an important synthetic target that shows a pair of NICS values for the center ...
In this lecture, an account is presented of new methodology which permits quantitative assessment of...
The ring current and local anisotropic contributions to the 1H chemical shifts of [n]annuleno[m]annu...
This study uses methods in computational chemistry to study two different systems. The first are the...
Abstract: The title journey is undertaken at the levels of both theory and experiment. Since 1983, h...
Conformational equilibrium in medium-sized rings has been investigated by the temperature variation ...
Suprafacial sigmatropic shift reactions of 5-substituted cyclopentadienes, 3-substituted cycloprope...
DOI
Add to ORKG