Why 1,2-quinone derivatives are more stable than their 2,3-analogues?

Tetracyclopenta[def,jkl,pqr,vwx]tetraphenylene: A Potential Tetraradicaloid Hydrocarbon

(2015) Shunpei Nobusue et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Tuning Ground States of Bis(triarylamine) Dications: From a Closed-Shell Singlet to a Diradicaloid with an Excited Triplet State

(2014) Yuanting Su et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Open-shell characters and second hyperpolarizabilities for hexagonal graphene nanoflakes including boron nitride domains

(2014) Kyohei Yoneda et al.   CHEMICAL PHYSICS LETTERS

Kekulé versus Lewis: When Aromaticity Prevents Electron Pairing and Imposes Polyradical Character

(2014) Georges Trinquier et al.   CHEMISTRY-A EUROPEAN JOURNAL

Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character

(2014) Ding Luo et al.   Chemical Science

Theoretical study on the diradical characters and third-order nonlinear optical properties of cyclic thiazyl diradical compounds

(2013) Hiroshi Matsui et al.   CHEMICAL PHYSICS LETTERS

Benzenoid Polycyclic Hydrocarbons with an Open-Shell Biradical Ground State

(2013) Zhe Sun et al.   Chemistry-An Asian Journal

In Search of Organic Compounds Presenting a Double Exchange Phenomenon

(2013) Vijay Gopal Chilkuri et al.   Journal of Chemical Theory and Computation

Dibenzoheptazethrene Isomers with Different Biradical Characters: An Exercise of Clar’s Aromatic Sextet Rule in Singlet Biradicaloids

(2013) Zhe Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Forty years of Clar's aromatic π-sextet rule

(2013) Miquel Solà   Frontiers in Chemistry

Aromaticity and π-bond covalency: prominent intermolecular covalent bonding interaction of a Kekulé hydrocarbon with very significant singlet biradical character

(2012) Akihiro Shimizu et al.   CHEMICAL COMMUNICATIONS

Rational Design of High-Spin Biradicaloids in the Isobenzofulvene and Isobenzoheptafulvene Series

(2012) Gary J. Snyder   JOURNAL OF PHYSICAL CHEMISTRY A

A Recipe for Geometry Optimization of Diradicalar Singlet States from Broken-Symmetry Calculations

(2012) Jean-Paul Malrieu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Metalloaromaticity

(2012) Ferran Feixas et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Conjugation Paths in Monosubstituted 1,2- and 2,3-Naphthoquinones

(2011) Mozhgan Shahamirian et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Energy decomposition analysis

(2011) Moritz von Hopffgarten et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Occurrence, biosynthesis and function of isoprenoid quinones

(2010) Beatrycze Nowicka et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

A Test to Evaluate the Performance of Aromaticity Descriptors in All-Metal and Semimetal Clusters. An Appraisal of Electronic and Magnetic Indicators of Aromaticity

(2010) Ferran Feixas et al.   Journal of Chemical Theory and Computation

Routes of π-Electron Delocalization in 4-Substituted-1,2-benzoquinones†

(2010) Halina Szatyłowicz et al.   JOURNAL OF ORGANIC CHEMISTRY

Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character

(2010) Ferran Feixas et al.   THEORETICAL CHEMISTRY ACCOUNTS

Towards the molecular mechanism of respiratory complex I

(2009) Judy Hirst   BIOCHEMICAL JOURNAL

Are Thermodynamic and Kinetic Stabilities Correlated? A Topological Index of Reactivity toward Electrophiles Used as a Criterion of Aromaticity of Polycyclic Benzenoid Hydrocarbons⊥

(2009) Arkadiusz Ciesielski et al.   Journal of Chemical Information and Modeling

Correlation of Delocalization Indices and Current-Density Maps in Polycyclic Aromatic Hydrocarbons

(2008) Stijn Fias et al.   CHEMISTRY-A EUROPEAN JOURNAL

The role of electronic delocalization in transition metal complexes from the electron localization function and the quantum theory of atoms in molecules viewpoints

(2008) Eduard Matito et al.   COORDINATION CHEMISTRY REVIEWS

On the performance of some aromaticity indices: A critical assessment using a test set

(2008) Ferran Feixas et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY