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Some New Trends in Chemical Graph Theory
Chemical Reviews, 2008Ramón, García-Domenech +3 more
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Applications of Chemical Graph Theory to Organic Molecules
2011The full combinatorial search algorithm and the greedy search algorithm have been used on a set of molecular connectivity indices, five experimental parameters and the molar mass to extract the best descriptor for 12 properties of a set of organic solvents.
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Analysis of Chemical Engineering Curricula Using Graph Theory
2024 ASEE Annual Conference & Exposition ProceedingsChemical engineering is a complex interconnected major. Just as chemical engineers have broken complex processes into unit operations, the chemical engineering curriculum has been broken up into courses. The organization of these courses varies amongst institutions and are based on years of prior teaching and research.
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Poly(ADP-Ribose) polymerase (PARP) inhibitors: Exploiting a synthetic lethal strategy in the clinic
Ca-A Cancer Journal for Clinicians, 2011Timothy A Yap, Johann Sebastian de Bono
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Computational predictions of energy materials using density functional theory
Nature Reviews Materials, 2016Anubhav Jain +2 more
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Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors
Nature Reviews Materials, 2019Zhi-Jian Zhao, Sihang Liu, Shenjun Zha
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