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Kimberly Bowal, Alston Misquitta, Jacob Martin, Laura Pascazio,…
https://como.ceb.cam.ac.uk/media/presentations/Carbon2019_klb83.pdf10 Nov 2020: Heterogeneous:1. 20 6-ringed & 20 15-ringed2. 50 6-ringed & 50 15-ringed3. ... 11. Heterogeneous clusters30 6-ringed &10 15-ringed. 20 6-ringed &20 15-ringed. 50 6-ringed &50 15-ringed. -
preprint254
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-254.pdf12 Mar 2020: Morerecent mass spectrometry has confirmed the presence of a crosslinked species (30–50carbon atoms) containing two smaller aromatic fragments (10–20 carbon atoms) withhydrogen to carbon ratios indicating pericondensed species [6]. ... Science, -
Surface properties of heterogeneous polycyclic aromatic hydrocarbon…
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-252.pdf11 Mar 2020: Statistics for the detailed surface properties are collected from6 equilibrated configurations, each extracted at 20 temperatures. ... Proc.Combust. Inst., 37(1):1117–1123, 2019. [20] J. W. Martin, D. Hou, A. -
Reactive localized -radicals on rim-based pentagonal rings:…
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-251.pdf11 Nov 2020: the rate constants for the barrierless channels were also estimated using variationaltransition state theory (VTST) [20] as implemented in ktools within Multiwell [2]. ... Thisabstraction also proceeds downhill in energy with a decrease in 20.5 kcal/mol, -
A knowledge-graph approach to combustion chemistry and…
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-256.pdf6 Jul 2020: OntoCompChem [20] is an ontology for quantum chemistry calculations. It is an ex-tension of the Gainesville Core [35] ontology and CompChem [30]. ... Eng. Appl. Artif. Intel., 20(2):147–161, 2007.doi:10.1016/j.engappai.2006.06.010. [28] M. Pan, J. -
Kinetics and equilibria of cross-linking reactions between different…
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-258.pdf27 Aug 2020: A2) A2). 0. 20. 40. 60. 80. 100. 120. (f) A2–A2 reaction. ... 80. 1.5. A2) B1). (g) A2–B1 reaction. 0. 20. 40. 60. -
Microsoft PowerPoint - CombChem_Martin
https://como.ceb.cam.ac.uk/media/presentations/Molecular_Insights_into_carbonaceous_nanoparticle_formation_in_flames_MARTIN.pdf5 Dec 2020: Aromatic oligomers (aromers)• Size 450 – 550 Da• 10 – 20 aromatic rings• Growth via HACA and. ... MARTIN 20. Shipmap.org. Physical Chemical. “Once coagulated they will quickly become chemically knit together since a significant fraction of -
Temperature and CH* Measurements and Simulations of Laminar Premixed…
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-250.pdf10 Mar 2020: The most widely used approach to simulate such flames is to use a1D model based on the stream function assumption [20]. ... J. Aerosol Sci., 138:105451, 2019.doi:10.1016/j.jaerosci.2019.105451. 20. 24] B. Ma and M. -
Kinetic Monte Carlo statistics of curvature integration by HACA ...
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-253.pdf25 Mar 2020: In graphene, these lines constitutegrain boundaries where the orientation of the carbon atoms change [20]. ... 6 A1 CsR6A1 H 2.2201083 20.790 46.890 [45]. 43 CsR6 A•. -
A Parallel World Framework for Scenario Analysis in Knowledge Graphs
https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-249.pdf18 Feb 2020: This fits them very well into Semantic Document Model [20]. Theraw scenario URL may also be used to request a semantic description of the parallel worlditself by issuing HTTP GET request ... Inputs:. – ’landlot’– ’electricalnetwork’–
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