Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Yicheng Chi"'
Publikováno v:
Symmetry, Vol 16, Iss 3, p 367 (2024)
Accurate thermochemical data are of great importance in developing quantitatively predictive reaction mechanisms for transportation fuels, such as diesel and jet fuels, which are primarily composed of large hydrocarbon molecules, especially large str
Externí odkaz:
https://doaj.org/article/e39298eb2e144328a3dfb567f7e7c45c
Publikováno v:
Fuel. 350:128761
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ef0643de0a9fc77fc45b788f731812a
https://doi.org/10.1016/j.fuel.2023.128761
https://doi.org/10.1016/j.fuel.2023.128761
Publikováno v:
The journal of physical chemistry. A. 126(44)
The multi-structural approximation with torsional anharmonicity (MS-T) method and its variants have been widely used for calculating conformational-rovibrational partition functions of large molecules. The present work aimed to propose a systematic m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dfa26869da725113256b17a47808d3a8
https://pubmed.ncbi.nlm.nih.gov/36300359
https://pubmed.ncbi.nlm.nih.gov/36300359
Publikováno v:
Langmuir. 37:10838-10848
Droplet impact on a smooth solid surface at atmospheric pressure was experimentally studied and physically interpreted. A particular emphasis of the study is on the effects of liquid viscosity on the transition between droplet deposition (or droplet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a28226b5dd71066c80b4b443047869b4
https://doi.org/10.1021/acs.langmuir.1c01797
https://doi.org/10.1021/acs.langmuir.1c01797
Triple flickering buoyant diffusion flames as a nonlinear dynamical system of coupled oscillators were computationally investigated. The four distinct dynamical modes (in-phase, death, rotation, and partial in-phase) observed in the previous candle-f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5170de731d43124ca293530329075e7
http://arxiv.org/abs/2201.01585
http://arxiv.org/abs/2201.01585
Publikováno v:
SSRN Electronic Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0622d869c99143eff3a99571ac8027a0
https://doi.org/10.2139/ssrn.4161704
https://doi.org/10.2139/ssrn.4161704
Publikováno v:
Combustion and Flame. 248:112526
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16426ac911c7ca83dac43b796c3993b0
https://doi.org/10.1016/j.combustflame.2022.112526
https://doi.org/10.1016/j.combustflame.2022.112526
Publikováno v:
Physical Chemistry Chemical Physics. 21:5232-5242
The isomerization and dissociation reactions of methyl decanoate (MD) radicals were theoretically investigated by using high-level theoretical calculations based on a two-layer ONIOM method, employing the QCISD(T)/CBS method for the high layer and th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da71c263f2e3c03b3fc61557be59bcb9
https://doi.org/10.1039/c8cp05593a
https://doi.org/10.1039/c8cp05593a
Publikováno v:
The journal of physical chemistry. A. 124(42)
An ab initio chemical kinetics study of the reactions of methyl butanoate (MB) with hydroperoxyl radical (HO2) is presented in this paper. Particular interest is placed on determining the influences of torsional anharmonicity and addition reaction on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9478952d5dd7fee51c5a74c5adfe76b0
https://pubmed.ncbi.nlm.nih.gov/32986416
https://pubmed.ncbi.nlm.nih.gov/32986416
Torsional modes within a complex molecule containing various functional groups are often strongly coupled so that the harmonic approximation and one-dimensional torsional treatment are inaccurate to evaluate their partition functions. A family of mul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0dd5f71ce7e009f6076789762aab8070