Results 71 to 80 of about 3,864 (163)
Why is phenanthrene more stable than anthracene?
Macedonian Journal of Chemistry and Chemical Engineering, 2007 By means of a recently developed molecular-orbital-based method it is possible to estimate the energy effects of individual cycles, as well as pairs, triplets, etc. of cycles in polycyclic conjugated molecules.
Ivan Gutman, Sonja Stanković
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Preparation and Structures of Crystalline Aromatic Cation-Radical Salts. Triethyloxonium Hexachloroantimonate as a Novel (One-Electron) Oxidant [PDF]
, 1998 Triethyloxonium hexachloroantimonate [Et3O+SbCl6-] is a selective oxidant of aromatic donors (ArH), and it allows the facile preparation and isolation of crystalline paramagnetic salts [ArH+•, SbCl6-] for the X-ray structure determination of various ...
Kochi, Jay K. +3 more
core +1 more source
Iterative estimation of total p-electron energy [PDF]
Journal of the Serbian Chemical Society, 2005 : In this work, the lower and upper bounds for total p-electron energy (E) was studied. Amethod 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 ...
LEMI TÜRKER, IVAN GUTMAN
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Advanced Synthesis &Catalysis, Volume 367, Issue 21, November 13, 2025.In the presence of a Pd0 catalyst, large π‐extended arynes trimerize in an unusual manner to forge extremely compact and strained chiral benzenoids. This new trimerization reaction involves a 1,7‐Pd isomerization, a rare and poorly understood process that is elucidated.
Albert Artigas +6 more
wiley +1 more source
Molecular descriptors of benzenoid systems
Química NovaMolecular descriptors are being widely used in QSAR/QSPR studies in chemistry and drug designing as well as modeling of compounds. Different topological descriptors have been formulated to investigate the physio chemical properties and chemical ...
Nazeran Idrees +4 more
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Advanced Science, 2020 Although polycyclic conjugated hydrocarbons (PCHs) and their analogues have gained great progress in the fields of organic photoelectronic materials, the in‐depth study on present PCHs is still limited to hexacene or below because longer PCHs are ...
Wangqiao Chen +4 more
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Some Benzenoid Hydrocarbons with Extremal Properties
Zeitschrift für Naturforschung A, 1988 Abstract Benzenoid systems and their ⊿ values are studied. Here ⊿ is the absolute magnitude of the difference between the numbers of black and white vertices. The systems with maximum ⊿ at a given h (number of hexagons) are treated in particular. TP benzenoids are defined as consisting of fused triangulenes and phenalenes only.
J. Brunvoll +3 more
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Chemical applicability and computation of K-Banhatti indices for benzenoid hydrocarbons and triazine-based covalent organic frameworks. [PDF]
Sci Rep, 2023 Shanmukha MC +5 more
europepmc +1 more source
A simple formula for calculating resonance energy of benzenoid hydrocarbons
Macedonian Journal of Chemistry and Chemical Engineering, 2006 The topological resonance energy (TRE) of a catacondensed benzenoid hydrocarbon with h six-membered rings and K Kekulé structures can be calculated by the (approximate) formula TRE = Ah + B + CK e–Dh, where A = 0.136, B = –0.223, C = 0.281, and D = 0.454.
Ivan Gutman, Slavko Slavko Radenković
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Resonance in Large Benzenoid Hydrocarbons
Croatica Chemica Acta, 1996 Pi-sextet resonance between Kekulé valence structures of benzenoid hydrocarbons are depicted by benzenoid resonance graphs. We outline the construction of the resonance graphs for families of benzenoid compounds. For the compounds considered the resonance graphs are built from fused ra-dimensional cubes.
Randić, Milan +3 more
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