On the number of Kekulé structures of fluoranthene congeners [PDF]
Journal of the Serbian Chemical Society, 2010 The Kekulé structure count K of fluoranthene congeners is studied. It is shown that for such polycyclic conjugated π-electron systems, either K = 0 or K ≥ 3.
DAMIR VUKIČEVIĆ +2 more
doaj
The effect of atomic-scale defects and dopants on graphene electronic structure [PDF]
, 2011 Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants.
Casolo, Simone +2 more
core +3 more sources
Angewandte Chemie, EarlyView.Halogen substitution controls a conformational switch between a folded closed‐shell and a flat singlet‐diradical conformer in an air‐stable Thiele‐diradical. This conformational switch allows for near‐unity photoluminescence quantum yield with a large Stokes shift, solvatochromism, and a long‐lived excited state.
Matteo Bevilacqua +11 more
wiley +2 more sources
Uniaxial Strain Induced Topological Phase Transition in Bismuth-Tellurohalide-Graphene Heterostructures [PDF]
, 2019 We explore the electronic structure and topological phase diagram of heterostructures formed of graphene and ternary bismuth tellurohalide layers. We show that mechanical strain inherently present in fabricated samples could induce a topological phase ...
Koltai, János +3 more
core +2 more sources
Cyclic conjugation in benzo- and benzocyclobutadieno-annelated terrylenes and higher rylenes [PDF]
, 2012 The effect of benzo- and benzocyclobutadieno-annelation on cyclic conjugation in terrylene and the higher members of the rylene homologous series is examined.
Gutman Ivan +2 more
core +1 more source
Molecular engineering of cyanine dyes to design a panchromatic response in co-sensitized dye-sensitized solar cells [PDF]
, 2016 Cyanines are optically tunable dyes with high molar extinction coefficients, suitable for applications in co-sensitized dye-sensitized solar cells (DSCs); yet, barely thus applied.G.P. thanks the EPSRC for a DTA Studentship (Reference: EP/K503009/1).
Cole, JM +3 more
core +2 more sources
m-Quinodimethane-Based Fused-Ring Diradicals with Singlet and Triplet Ground States
ChemistryDiradicals have attracted the attention of chemists due to their unique electronic structures and properties originating from unpaired electrons. One of the fundamental motifs of diradicals is quinodimethane; p- and o-quinodimethanes are singlet Kekulé ...
Akihiro Shimizu
doaj +1 more source
Algebraic structure count of linear phenylenes and their congeners [PDF]
Journal of the Serbian Chemical Society, 2003 The algebraic structure count of the linear phenylene with h six-membered rings is known to be equal to h + 1. We show that the same expression applies if each four-membered ring in the phenylene is replaced by a linear array consisting of k four ...
IVAN GUTMAN
doaj
Proximity Enhanced Quantum Spin Hall State in Graphene
, 2015 Graphene is the first model system of two-dimensional topological insulator (TI), also known as quantum spin Hall (QSH) insulator. The QSH effect in graphene, however, has eluded direct experimental detection because of its extremely small energy gap due
Chen, Changfeng +6 more
core +1 more source
Automated extraction of chemical structure information from digital raster images
Chemistry Central Journal, 2009 Background To search for chemical structures in research articles, diagrams or text representing molecules need to be translated to a standard chemical file format compatible with cheminformatic search engines.
Shedden Kerby A +5 more
doaj +1 more source