Phenalenyl radical: Smallest polycyclic odd alternant hydrocarbon present in the graphene sheet
Phenalenyl, a zigzag-edged odd alternant hydrocarbon unit can be found in the graphene
nanosheet. Hückel molecular orbital calculations indicate the presence of a nonbonding …
nanosheet. Hückel molecular orbital calculations indicate the presence of a nonbonding …
London dispersion in molecular chemistry—reconsidering steric effects
JP Wagner, PR Schreiner - Angewandte Chemie International …, 2015 - Wiley Online Library
London dispersion, which constitutes the attractive part of the famous van der Waals
potential, has long been underappreciated in molecular chemistry as an important element …
potential, has long been underappreciated in molecular chemistry as an important element …
Pancake bonding: an unusual pi‐stacking interaction
M Kertesz - Chemistry–A European Journal, 2019 - Wiley Online Library
A category of parallel π‐stacking interaction, termed pancake bonding, is surveyed. The
main characteristics are: the interaction occurs among radicals with highly delocalized π …
main characteristics are: the interaction occurs among radicals with highly delocalized π …
Synthetic organic spin chemistry for structurally well-defined open-shell graphene fragments
Graphene, a two-dimensional layer of sp 2-hybridized carbon atoms, can be viewed as a
sheet of benzene rings fused together. Three benzene rings can be combined in three …
sheet of benzene rings fused together. Three benzene rings can be combined in three …
Redox Mediators in Homogeneous Co-electrocatalysis
Homogeneous electrocatalysis has been well studied over the past several decades for the
conversion of small molecules to useful products for green energy applications or as …
conversion of small molecules to useful products for green energy applications or as …
XEDA, a fast and multipurpose energy decomposition analysis program
Z Tang, Y Song, S Zhang, W Wang, Y Xu… - Journal of …, 2021 - Wiley Online Library
A fast and multipurpose energy decomposition analysis (EDA) program, called XEDA, is
introduced for quantitative analysis of intermolecular interactions. This program contains a …
introduced for quantitative analysis of intermolecular interactions. This program contains a …
Phenalenyl‐Based Open‐Shell Polycyclic Aromatic Hydrocarbons
T Kubo - The Chemical Record, 2015 - Wiley Online Library
The phenalenyl radical is a polycyclic aromatic hydrocarbon (PAH) radical. Owing to its
widely distributed spin structure, phenalenyl is relatively stable compared to other …
widely distributed spin structure, phenalenyl is relatively stable compared to other …
Evidence of σ-and π-Dimerization in a Series of Phenalenyls
Phenalenyl and a wide variety of its derivatives form stable radicals, which often associate in
various aggregates with interesting properties that include magnetism and high electrical …
various aggregates with interesting properties that include magnetism and high electrical …
London'sche Dispersionswechselwirkungen in der Molekülchemie–eine Neubetrachtung sterischer Effekte
JP Wagner, PR Schreiner - Angewandte Chemie, 2015 - Wiley Online Library
Abstract Die London'sche Dispersion, die den attraktiven Teil des Van‐der‐Waals‐
Potentials beschreibt, wurde lange als Element struktureller Stabilität in der molekularen …
Potentials beschreibt, wurde lange als Element struktureller Stabilität in der molekularen …
Pancake bonds: π-Stacked dimers of organic and light-atom radicals
KE Preuss - Polyhedron, 2014 - Elsevier
The nature of the chemical bond is fundamental to the modern concept of chemistry. Species
that exhibit unusual interactions provide a valuable challenge to current theoretical models …
that exhibit unusual interactions provide a valuable challenge to current theoretical models …