Results 81 to 90 of about 1,373 (200)
Charge distributions and chemical effects. XL. Chemical bonds in benzenoid hydrocarbons
, 1986 Benzenoid hydrocarbons were examined using a bond energy scheme featuring the role of atomic charges. The latter were conveniently deduced from appropriate correlations between theoretical results and 13C nuclear magnetic resonance shifts.
S. Fliszár, G. Cardinal, N. A. Baykara
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Some Observations on the Topological Resonance Energy of Benzenoid Hydrocarbons
, 1982 Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarbons: (a) TRE is roughly linear function of the number of Kekule structures, and (b) in a homologous series containing a linear polyacene fragment, TRE
Gutman, I. +3 more
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Bond length interrelations in benzenoid hydrocarbons and their heteroatom analogues
, 2014 The geometries of some benzenoid hydrocarbons and their analogues with XY (XY = BB, BC, BN, CN, and NN) bonds have been determined at the B3LYP/6-311++G ⁄⁄ level of theory.
Zborowski, Krzysztof +1 more
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Relation between electron and energy contents of hexagons in catacondensed benzenoid hydrocarbons [PDF]
, 2005 9-12The concept of electron content (EC) of hexagons in benzenoid hydrocarbons has been recently introduced in a series of scientific papers. In full analogy to it one may conceive also the energy content (ec) of hexagons.
Turkovic, Nedzad +2 more
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Generalised Multiplicative Indices of Polycyclic Aromatic Hydrocarbons and Benzenoid Systems
, 2017 Many types of topological indices such as degree-based topological indices, distance-based topological indices, and counting-related topological indices are explored during past recent years. Among degree-based topological indices, Zagreb indices are the
Shaohui Wang +3 more
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, 2020 Synthesis of polycyclic aromatic hydrocarbons containing various non-benzenoid rings remains a big challenge facing contemporary organic chemistry despite a considerable effort made over the last decades.
Pavel, Jelinek +11 more
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Polansky's benzenoid character and the electron content of rings of benzenoid hydrocarbons
, 2005 Summary: In 2004 Balaban and Randić put forward a method to assess the \(\pi\)-electron content EC of rings of benzoid hydrocarbins. Much earlier, in the 1960s, Oskar Polansky conceived and elaborated the concept of benzenoid character \(\rho\) of the same rings.
Gutman, Ivan +3 more
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Analytical expressions for the count of LM-conjugated circuits of benzenoid hydrocarbons
, 1996 A recursive method for enumeration of linearly independent and minimal conjugated circuits of benzenoid hydrocarbons had previously been given which is valid for several classes of benzenoid hydrocarbons.
郭晓峰 +3 more
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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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, 2010 In this paper, we study new configurations of benzenoid hydrocarbons, called benzenoid links. Roughly speaking, a primitive corofusene is a closed narrow hexagonal ribbon with out-of-plane curvature 0.
Zhang,FJ, 杨维玲, Klein,DJ, Yang,WL
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