Exploring the properties of benzenoid hydrocarbons through QSPR modeling and domination-based energy parameters [PDF]
Scientific ReportsThis article aims to explore two emerging areas of graph theory: chemical graph theory and domination theory. We specifically focus on a graph parameter that combines aspects of graph energy and domination, known as the dominating energy of a simple ...
Shanmugavelan Sankaran +1 more
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Comparative Transcriptome Reveals Benzenoid Biosynthesis Regulation as Inducer of Floral Scent in the Woody Plant Prunus mume [PDF]
Frontiers in Plant Science, 2017 Mei (Prunus mume) is a peculiar woody ornamental plant famous for its inviting fragrance in winter. However, in this valuable plant, the mechanism behind floral volatile development remains poorly defined. Therefore, to explore the floral scent formation,
Kai Zhao, Yuzhen Zhou, Sagheer Ahmad
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Partitioning Hückel–London Currents into Cycle Contributions
Chemistry, 2021 Ring-current maps give a direct pictorial representation of molecular aromaticity. They can be computed at levels ranging from empirical to full ab initio and DFT.
Wendy Myrvold +2 more
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Asymmetric total synthesis of benzenoid cephalotane-type diterpenoids through a cascade C(sp2) & C(sp3)–H activation [PDF]
Nature CommunicationsCephalotane diterpenoids, featuring unique and complicated carbon skeletons and remarkable antitumor activities from the Cephalotaxus genus, have been gaining increasing attention.
Xiangxin Li +5 more
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Benzenoid Aromatics from Renewable Resources
Chemical ReviewsIn this Review, all known chemical methods for the conversion of renewable resources into benzenoid aromatics are summarized. The raw materials that were taken into consideration are CO2; lignocellulose and its constituents cellulose, hemicellulose, and lignin; carbohydrates, mostly glucose, fructose, and xylose; chitin; fats and oils; terpenes; and ...
Shasha Zheng, Zhenlei Zhang, Songbo He
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On benzenoid systems with minimal number of inlets [PDF]
Journal of the Serbian Chemical Society, 2013 Inlets are features on the perimeter of a benzenoid system that determine numerous of its electronic and topological properties. A class of large benzenoid systems is constructed, having small number of inlets.
Cruz Roberto, Gutman Ivan, Rada Juan
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Wiener Index Calculation on the Benzenoid System: A Review Article
Jurnal Matematika Integratif, 2023 The Weiner index is considered one of the basic descriptors of fixed interconnection networks because it provides the average distance between any two nodes of the network.
Dwindi Agryanti Johar +2 more
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On π-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.
Gutman Ivan, Đurđević Jelena
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Relating resonance energy with the Zhang-Zhang polynomial [PDF]
Journal of the Serbian Chemical Society, 2007 The Zhang-Zhang polynomial ζ(x) is a recently conceived tool in the mathematical apparatus of theoretical chemistry. It combines (in a quantitative manner) the Kekulé- and Clar-structure-based features of benzenoid molecules.
Gojak Sabina +3 more
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Defect-Induced π-Magnetism into Non-Benzenoid Nanographenes
Nanomaterials, 2022 The synthesis of nanographenes (NGs) with open-shell ground states have recently attained increasing attention in view of their interesting physicochemical properties and great prospects in manifold applications as suitable materials within the rising ...
Kalyan Biswas +11 more
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