Aromaticity: Quo Vadis
Aromaticity is one of the most deeply rooted concepts in chemistry. But why, if two-thirds of
existing compounds can be classified as aromatic, is there no consensus on what …
existing compounds can be classified as aromatic, is there no consensus on what …
% V Bur index and steric maps: from predictive catalysis to machine learning
Steric indices are parameters used in chemistry to describe the spatial arrangement of
atoms or groups of atoms in molecules. They are important in determining the reactivity …
atoms or groups of atoms in molecules. They are important in determining the reactivity …
Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster
3D-aromatic molecules with (distorted) tetrahedral, octahedral, or spherical structures are
much less common than typical 2D-aromatic species or even 2D-aromatic-in-3D systems …
much less common than typical 2D-aromatic species or even 2D-aromatic-in-3D systems …
A quantum‐mechanical map for bonding and properties in solids
JY Raty, M Schumacher, P Golub… - Advanced …, 2019 - Wiley Online Library
A 2D map is created for solid‐state materials based on a quantum‐mechanical description
of electron sharing and electron transfer. This map intuitively identifies the fundamental …
of electron sharing and electron transfer. This map intuitively identifies the fundamental …
From macrocycles to quantum rings: Does aromaticity have a size limit?
Conspectus The ring currents of aromatic and antiaromatic molecules are remarkable
emergent phenomena. A ring current is a quantum-mechanical feature of the whole system …
emergent phenomena. A ring current is a quantum-mechanical feature of the whole system …
Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief
Gain of aromaticity or relief of antiaromaticity along a reaction path are important factors to
consider in mechanism studies. Analysis of such changes along potential energy surfaces …
consider in mechanism studies. Analysis of such changes along potential energy surfaces …
Aromaticity and antiaromaticity: concepts and applications
M Solà, AI Boldyrev, MK Cyrañski, TM Krygowski… - 2022 - books.google.com
Aromaticity and Antiaromaticity A comprehensive review of the science of aromaticity, as
well as its evolution, from benzene to atomic clusters In Aromaticity and Antiaromaticity …
well as its evolution, from benzene to atomic clusters In Aromaticity and Antiaromaticity …
Magnetic Antiaromaticity─ Paratropicity─ Does Not Necessarily Imply Instability
C Foroutan-Nejad - The Journal of Organic Chemistry, 2023 - ACS Publications
Magnetically induced ring currents are a conventional tool for the characterization of
aromaticity. Dia-and paratropic currents are thought to be associated with stabilization …
aromaticity. Dia-and paratropic currents are thought to be associated with stabilization …
Orbital-weighted dual descriptor for the study of local reactivity of systems with (quasi-) degenerate states
An alternative response function, based on the dual descriptor in terms of Koopmans'
approximation, is hereby proposed for the description of chemical reactivity in systems with …
approximation, is hereby proposed for the description of chemical reactivity in systems with …
Why aromaticity is a suspicious concept? Why?
M Solà - Frontiers in Chemistry, 2017 - frontiersin.org
From time to time I have the opportunity to give lectures on topics related to aromaticity.
Quite often in these occasions I get comments from the audience complaining about the fact …
Quite often in these occasions I get comments from the audience complaining about the fact …