Reactivity of polycyclic aromatic hydrocarbon soot precursors: implications of localized π-radicals on rim-based pentagonal rings JW Martin, D Hou, A Menon, L Pascazio, J Akroyd, X You, M Kraft The Journal of Physical Chemistry C 123 (43), 26673-26682, 2019 | 59 | 2019 |
π-Diradical aromatic soot precursors in flames JW Martin, L Pascazio, A Menon, J Akroyd, K Kaiser, F Schulz, ... Journal of the American Chemical Society 143 (31), 12212-12219, 2021 | 51 | 2021 |
The effect of poly (oxymethylene) dimethyl ethers (PODE3) on soot formation in ethylene/PODE3 laminar coflow diffusion flames YR Tan, M Salamanca, L Pascazio, J Akroyd, M Kraft Fuel 283, 118769, 2021 | 36 | 2021 |
Simulating the morphology of clusters of polycyclic aromatic hydrocarbons: The influence of the intermolecular potential L Pascazio, M Sirignano, A D'Anna Combustion and Flame 185, 53-62, 2017 | 30 | 2017 |
Exploring the internal structure of soot particles using nanoindentation: A reactive molecular dynamics study L Pascazio, JW Martin, K Bowal, J Akroyd, M Kraft Combustion and Flame 219, 45-56, 2020 | 28 | 2020 |
Reactive localized π-radicals on rim-based pentagonal rings: properties and concentration in flames A Menon, JW Martin, G Leon, D Hou, L Pascazio, X You, M Kraft Proceedings of the Combustion Institute 38 (1), 565-573, 2021 | 22 | 2021 |
Molecular dynamics simulations of incipient carbonaceous nanoparticle formation at flame conditions S Iavarone, L Pascazio, M Sirignano, A De Candia, A Fierro, ... Combustion Theory and Modelling 21 (1), 49-61, 2017 | 22 | 2017 |
Mechanical properties of soot particles: the impact of crosslinked polycyclic aromatic hydrocarbons L Pascazio, JW Martin, ML Botero, M Sirignano, A D’Anna, M Kraft Combustion Science and Technology 193 (4), 643-663, 2021 | 20 | 2021 |
Aromatic penta-linked hydrocarbons in soot nanoparticle formation L Pascazio, JW Martin, A Menon, D Hou, X You, M Kraft Proceedings of the Combustion Institute 38 (1), 1525-1532, 2021 | 20 | 2021 |
Chemical species ontology for data integration and knowledge discovery L Pascazio, S Rihm, A Naseri, S Mosbach, J Akroyd, M Kraft Journal of Chemical Information and Modeling 63 (21), 6569-6586, 2023 | 13 | 2023 |
On the reactive coagulation of incipient soot nanoparticles D Hou, L Pascazio, J Martin, Y Zhou, M Kraft, X You Journal of Aerosol Science 159, 105866, 2022 | 13 | 2022 |
Atomic insights into the sintering process of polycyclic aromatic hydrocarbon clusters D Hou, Q Chu, D Chen, L Pascazio, M Kraft, X You Proceedings of the Combustion Institute 38 (1), 1181-1188, 2021 | 13 | 2021 |
Kinetic Monte Carlo statistics of curvature integration by HACA growth and bay closure reactions for PAH growth in a counterflow diffusion flame G Leon, A Menon, L Pascazio, EJ Bringley, J Akroyd, M Kraft Proceedings of the Combustion Institute 38 (1), 1449-1457, 2021 | 13 | 2021 |
OntoPESScan: An ontology for potential energy surface scans A Menon, L Pascazio, D Nurkowski, F Farazi, S Mosbach, J Akroyd, ... ACS omega 8 (2), 2462-2475, 2023 | 6 | 2023 |
Leveraging text-to-text pretrained language models for question answering in chemistry D Tran, L Pascazio, J Akroyd, S Mosbach, M Kraft ACS omega 9 (12), 13883-13896, 2024 | 5 | 2024 |
Surface properties of heterogeneous polycyclic aromatic hydrocarbon clusters K Bowal, L Pascazio, H Wang, D Chen, M Kraft Proceedings of the Combustion Institute 38 (1), 1115-1123, 2021 | 4 | 2021 |
Degree of crosslinking in combustion carbons L Pascazio, JW Martin, K Bowal, M Kraft The World Conference on Carbon, 1-2, 2019 | 2 | 2019 |
Question-answering system for combustion kinetics L Pascazio, D Tran, S Rihm, J Bai, J Akroyd, S Mosbach | 1 | 2023 |
Combustion-generated Particles Nucleation: Molecular Dynamics Approach L Pascazio, M Sirignano, A D’Anna XXXVIII Meeting of the Italian Section of the Combustion Institute, 2015 | 1 | 2015 |
The digital lab manager: Automating research support SD Rihm, YR Tan, W Ang, M Hofmeister, X Deng, MT Laksana, HY Quek, ... SLAS technology 29 (3), 100135, 2024 | | 2024 |