Add to ORKGAbstract — Before any of the eleven possible quinones of azulene were known, predictions were made about their proper— ties on the basis of Hickel, MINDO/3, PPP and ab initio SCF (STO—3G) calculations (3). Four unsubstituted quinones of azulene have now been prepared, and the experimental results obtained so far provide information regarding their stability, reduction potentials, cycloadditions with cyclopentadiene, periselectivity of dimerization, and color. The accuracy of the predictions in some instances has been remarkable
The properties of isomeric azulene derivatives, substituted through the 5-membered ring, were examin...
A representative azulene formation from an active troponoid precursor (2-methoxytropone) and an acti...
Density functional theory (DFT) calculations (using Becke\u27s exchange in conjunction with Lee-Yang...
[[abstract]]The results of ab initio calculations with the 6-31G basis sets on azulene and its deriv...
ABSTRACT: Novel azulene building blocks, prepared via the cycloaddition of thiophene-S,S-dioxides an...
Azulene is a bicyclic scaffold rarely applied in medicinal chemistry. Here we report physicochemical...
International audienceDFT calculations with full geometry optimization have been carried out on a se...
The two structures of azulene with Clv and C, symmetry, their energy difference and their dipole mom...
Azulene is a bicyclic scaffold rarely applied in medicinal chemistry. Here we report physicochemical...
It seems interesting to adopt the idea of dance in the context of the arrangement of molecular block...
Azulene is a hydrocarbon that exhibits an intense blue colour. Derivatives of azulene exhibit differ...
Ab initio CBS-QB3 method has been used to determine gas-phase enthalpies of formation for 34 compoun...
The lack of azulene symmetry with respect to the axis perpendicular to a molecule creates an asymmet...
This activity enables the students to qualitatively predict whether a substituent will cause a blue ...
A synchrotron-based photoionization spectrum of azulene shows significant additional vibrational fin...
The properties of isomeric azulene derivatives, substituted through the 5-membered ring, were examin...
A representative azulene formation from an active troponoid precursor (2-methoxytropone) and an acti...
Density functional theory (DFT) calculations (using Becke\u27s exchange in conjunction with Lee-Yang...
[[abstract]]The results of ab initio calculations with the 6-31G basis sets on azulene and its deriv...
ABSTRACT: Novel azulene building blocks, prepared via the cycloaddition of thiophene-S,S-dioxides an...
Azulene is a bicyclic scaffold rarely applied in medicinal chemistry. Here we report physicochemical...
International audienceDFT calculations with full geometry optimization have been carried out on a se...
The two structures of azulene with Clv and C, symmetry, their energy difference and their dipole mom...
Azulene is a bicyclic scaffold rarely applied in medicinal chemistry. Here we report physicochemical...
It seems interesting to adopt the idea of dance in the context of the arrangement of molecular block...
Azulene is a hydrocarbon that exhibits an intense blue colour. Derivatives of azulene exhibit differ...
Ab initio CBS-QB3 method has been used to determine gas-phase enthalpies of formation for 34 compoun...
The lack of azulene symmetry with respect to the axis perpendicular to a molecule creates an asymmet...
This activity enables the students to qualitatively predict whether a substituent will cause a blue ...
A synchrotron-based photoionization spectrum of azulene shows significant additional vibrational fin...
The properties of isomeric azulene derivatives, substituted through the 5-membered ring, were examin...
A representative azulene formation from an active troponoid precursor (2-methoxytropone) and an acti...
Density functional theory (DFT) calculations (using Becke\u27s exchange in conjunction with Lee-Yang...