From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization [PDF]
, 2018 In order to extend the physical length of hole delocalization in a molecular wire, chromophores of increasing size are often desired. However, the effect of size on the efficacy and mechanism of hole delocalization remains elusive.
Ivanov, Maxim V. +2 more
core +3 more sources
Exploring the Potential and Evaluating Hydrocarbon Degradation by Novel Antarctic Dietzia and Pusillimonas Isolates From a Pristine Environment. [PDF]
Environ Microbiol RepThe Antarctic Dietzia and Pusillimonas isolates were tested for bioremediation applications. Genomic analyses revealed the potential to degrade complex organic compounds, potential virulence factors and resistance genes. Physiological assays showed a wide range of adaptation to abiotic factors and sensitivity to different groups of antibiotics ...
Krucoń T +4 more
europepmc +2 more sources
Benzenoid isomers with greatest and smallest Kekulé structure counts [PDF]
Journal of the Serbian Chemical Society, 2006 In families of benzenoid isomers, the species with the greatest and smallest value of the Kekulé structure count (K) possess, respectively, the greatest and smallest thermodynamic stability and, respectively, the smallest and greates reactivity.
Gutman Ivan +3 more
doaj +3 more sources
On p-electron conjugation in the five-membered ring of fluoranthene-type benzenoid hydrocarbons [PDF]
Journal of the Serbian Chemical Society, 2009 A fluoranthene-type benzenoid hydrocarbon (FTBH) is a polycyclic conjugated system obtained by joining two ordinary benzenoid hydrocarbons so as to form a five-membered ring.
IVAN GUTMAN, JELENA ĐURĐEVIĆ
doaj
Annelated perylenes: benzenoid molecules violating the Kekulé-structure-based cyclic conjugation models [PDF]
Journal of the Serbian Chemical Society, 2005 Several currently used models for assessing the extent of cyclic conjugation in benzenoid hydrocarbons, all based on Kekulé-type structural formulas, predict that there is no cyclic conjugation in the central, “empty”, ring of perylene and its annelated ...
IVAN GUTMAN +4 more
doaj +3 more sources
Decomposition theorem on matchable distributive lattices
, 2010 A distributive lattice structure ${\mathbf M}(G)$ has been established on the set of perfect matchings of a plane bipartite graph $G$. We call a lattice {\em matchable distributive lattice} (simply MDL) if it is isomorphic to such a distributive lattice.
Birkhoff +33 more
core +1 more source
, 2008 The first optical spectrum of an isolated polycyclic aromatic hydrocarbon large enough to survive the photophysical conditions of the interstellar medium is reported.
Damian L. Kokkin +16 more
core +1 more source
Why 1,2‑quinone derivatives are more stable than their 2,3‑analogues? [PDF]
, 2015 In this work, we have studied the relative stability of 1,2- and 2,3-quinones. While 1,2-quinones have a closed-shell singlet ground state, the ground state for the studied 2,3-isomers is open-shell singlet, except for 2,3-naphthaquinone that has a ...
Dominikowska, Justyna +6 more
core +2 more sources
Iterative estimation of total π-electron energy [PDF]
Journal of the Serbian Chemical Society, 2005 In this work, the lower and upper bounds for total π-electron energy (E) was studied. A method is presented, by means of which, starting with a lower bound EL and an upper bound EU for E, a sequence of auxiliary quantities E0 E1, E2,… is computed, such ...
Türker Lemi, Gutman Ivan
doaj +1 more source
Near omni-conductors and insulators: Alternant hydrocarbons in the SSP model of ballistic conduction [PDF]
, 2017 Within the source-and-sink-potential model, a complete characterisation is obtained for the conduction behaviour of alternant π-conjugated hydrocarbons (conjugated hydrocarbons without odd cycles).
Borg, M. +4 more
core +1 more source