Add to ORKGA simple procedure for determining whether a pericyclic reaction is thermally allowed is described. The focus is on the potential aromaticity of the transition state of the process, which is inferred from the topological features of the interacting orbitals and the number of electrons involved
The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational Ch...
AbstractStarting from chemical structural theory, in particular the principle of valency conservatio...
Molecular modeling with density functional and higher level methods was used to study mechanisms for...
The Mallory (photocyclization) and Scholl (thermal cyclohydrogenation) reactions are widely used in ...
The Mallory (photocyclization) and Scholl (thermal cyclohydrogenation) reactions are widely used in ...
The fundamental principles of pericyclic reactions are governed by the Woodward-Hoffmann rules, whic...
Woodward and Hoffman suggested that pericyclic reactions under thermal or photochemical conditions a...
In this contribution, we have investigated the performance of the initial hardness response, a react...
"Pericyclic Chemistry: Orbital Mechanisms and Stereochemistry is a complete guide to the topic that ...
For chemists, the tryst with aromaticity began with the dream and subsequent works by Kekule. Gradua...
For chemists, the tryst with aromaticity began with the dream and subsequent works by Kekule. Gradua...
In this contribution, we have investigated the performance of the initial hardness response, a react...
<p></p><p>In this work is proposed a didactic alternative vision to teach pericyclic reactions. To t...
This dissertation describes research that delves into exploring puzzling chemical phenomena utilizin...
This dissertation describes research that delves into exploring puzzling chemical phenomena utilizin...
The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational Ch...
AbstractStarting from chemical structural theory, in particular the principle of valency conservatio...
Molecular modeling with density functional and higher level methods was used to study mechanisms for...
The Mallory (photocyclization) and Scholl (thermal cyclohydrogenation) reactions are widely used in ...
The Mallory (photocyclization) and Scholl (thermal cyclohydrogenation) reactions are widely used in ...
The fundamental principles of pericyclic reactions are governed by the Woodward-Hoffmann rules, whic...
Woodward and Hoffman suggested that pericyclic reactions under thermal or photochemical conditions a...
In this contribution, we have investigated the performance of the initial hardness response, a react...
"Pericyclic Chemistry: Orbital Mechanisms and Stereochemistry is a complete guide to the topic that ...
For chemists, the tryst with aromaticity began with the dream and subsequent works by Kekule. Gradua...
For chemists, the tryst with aromaticity began with the dream and subsequent works by Kekule. Gradua...
In this contribution, we have investigated the performance of the initial hardness response, a react...
<p></p><p>In this work is proposed a didactic alternative vision to teach pericyclic reactions. To t...
This dissertation describes research that delves into exploring puzzling chemical phenomena utilizin...
This dissertation describes research that delves into exploring puzzling chemical phenomena utilizin...
The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational Ch...
AbstractStarting from chemical structural theory, in particular the principle of valency conservatio...
Molecular modeling with density functional and higher level methods was used to study mechanisms for...