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π-Diradical Aromatic Soot Precursors in Flames.
Martin JW, Pascazio L, Menon A, Akroyd J, Kaiser K, Schulz F, Commodo M, D'Anna A, Gross L, Kraft M. Martin JW, et al. Among authors: menon a. J Am Chem Soc. 2021 Aug 11;143(31):12212-12219. doi: 10.1021/jacs.1c05030. Epub 2021 Aug 2. J Am Chem Soc. 2021. PMID: 34338507 Free PMC article.
An Ontology and Semantic Web Service for Quantum Chemistry Calculations.
Krdzavac N, Mosbach S, Nurkowski D, Buerger P, Akroyd J, Martin J, Menon A, Kraft M. Krdzavac N, et al. Among authors: menon a. J Chem Inf Model. 2019 Jul 22;59(7):3154-3165. doi: 10.1021/acs.jcim.9b00227. Epub 2019 Jun 14. J Chem Inf Model. 2019. PMID: 31150242
Multiscale Cross-Domain Thermochemical Knowledge-Graph.
Mosbach S, Menon A, Farazi F, Krdzavac N, Zhou X, Akroyd J, Kraft M. Mosbach S, et al. Among authors: menon a. J Chem Inf Model. 2020 Dec 28;60(12):6155-6166. doi: 10.1021/acs.jcim.0c01145. Epub 2020 Nov 26. J Chem Inf Model. 2020. PMID: 33242243
Automated Rational Design of Metal-Organic Polyhedra.
Kondinski A, Menon A, Nurkowski D, Farazi F, Mosbach S, Akroyd J, Kraft M. Kondinski A, et al. Among authors: menon a. J Am Chem Soc. 2022 Jul 6;144(26):11713-11728. doi: 10.1021/jacs.2c03402. Epub 2022 Jun 22. J Am Chem Soc. 2022. PMID: 35731954 Free PMC article.
OntoPESScan: An Ontology for Potential Energy Surface Scans.
Menon A, Pascazio L, Nurkowski D, Farazi F, Mosbach S, Akroyd J, Kraft M. Menon A, et al. ACS Omega. 2023 Jan 3;8(2):2462-2475. doi: 10.1021/acsomega.2c06948. eCollection 2023 Jan 17. ACS Omega. 2023. PMID: 36687109 Free PMC article.
1,292 results