Search Results - HYDROCARBON CHEMISTRY

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    Hypergraph models of hydrocarbon molecules and their applications in computer chemistry by M. I. Skvortsova, I. I. Fashutdinova, N. A. Mikhailova

    Subjects: “…hypergraph, graph invariants, hypergraph invariants, computer chemistry, structure–property relationships, saturated hydrocarbons.…”
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    Analysis on Students’ Understanding of Hydrocarbon Compounds in Organic Chemistry II Course by Kriesna Kharisma Purwanto

    Published in EduChemia (2021-12-01)
    “…<p class="Abstract"><span lang="EN-US">Hydrocarbon material is one of the organic chemical materials which is the basic concept for studying the next organic chemistry concept. …”
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    Explore artificial neural networks for solving complex hydrocarbon chemistry in turbulent reactive flows by Jian An, Fei Qin, Jian Zhang, Zhuyin Ren

    Published in Fundamental Research (2022-07-01)
    “…It is of practical importance to conduct in-depth fundamental research and optimal design for modern engine combustors through high-fidelity computational fluid dynamics (CFD), so as to achieve energy conservation and emission reduction. However, complex hydrocarbon chemistry, an indispensable component for predictive modeling, is computationally demanding. …”
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    Reactions of Graphene Nano-Flakes in Materials Chemistry and Astrophysics by Hiroto Tachikawa, Tetsuji Iyama

    Published in Physchem (2022-05-01)
    “…Polycyclic aromatic hydrocarbons (PAHs) provide a two-dimensional reaction field in a three-dimensional interstellar space. …”
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    Astrochemical Modeling of Propargyl Radical Chemistry in TMC-1 by Alex N. Byrne, Ci Xue, Ilsa R. Cooke, Michael C. McCarthy, Brett A. McGuire

    Published in The Astrophysical Journal (2023-01-01)
    “…Predicted abundances for the chemically related C _4 H _3 N isomers within an order of magnitude of observed values corroborate the high efficiency of CN addition to closed-shell hydrocarbons under dark molecular cloud conditions. The results of our modeling provide insight into the chemical processes of the propargyl radical in dark molecular clouds and highlight the importance of resonance-stabilized radicals in polycyclic aromatic hydrocarbon formation.…”
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