Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Xian-Fang Yue"'
Publikováno v:
SSRN Electronic Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c99460c56cb8fa9f6a009bbcad655fa6
https://doi.org/10.2139/ssrn.4057347
https://doi.org/10.2139/ssrn.4057347
Autor:
Hai-Ran Feng, Jianjun Fang, António J. C. Varandas, Xian-Fang Yue, Ming-Chun Jiao, P. J. S. B. Caridade, Jing Li
Publikováno v:
Chemical Physics Letters. 780:138924
Despite its paradigmatic role in early molecular beam experiments and theoretical molecular reaction dynamics, an attempt is made in the present work to elucidate basic aspects of the title reaction. Both thermal rate constants and its rotation speci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4cda1baf5cde5fedf6da5bc6a2847383
https://doi.org/10.1016/j.cplett.2021.138924
https://doi.org/10.1016/j.cplett.2021.138924
Publikováno v:
Chemical Physics Letters. 770:138426
Quasiclassical trajectories have been integrated to determine the reaction rate constants for O + N2 collision. This reaction is endothermic and the channel only opens up above 10 000 K. When fitting those rate constants to the Arrhenius functions, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b705f3a25ea44b8f56b41217655d34d
https://doi.org/10.1016/j.cplett.2021.138426
https://doi.org/10.1016/j.cplett.2021.138426
Autor:
Xian-Fang Yue, Ming-Chun Jiao
Publikováno v:
Journal of Atomic and Molecular Sciences. 7:51-63
A state-to-state dynamics analysis of the title reaction has been investigated via the quasiclassical trajecory method. Results of the product state resolved differen- tial cross sections, polarization parameters, as well as rovibrational state distr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3a6f0956f0a12adeeba5b56249859313
https://doi.org/10.4208/jams.021416.042116a
https://doi.org/10.4208/jams.021416.042116a
Publikováno v:
Physical Review A. 95
The scattering matrices of $e\phantom{\rule{0.16em}{0ex}}+\phantom{\rule{0.16em}{0ex}}{\mathrm{O}}^{+}(2{p}^{3}\phantom{\rule{0.16em}{0ex}}^{4}S_{3/2},\phantom{\rule{0.16em}{0ex}}^{2}D_{3/2,5/2})$ with ${J}^{\ensuremath{\pi}}={3}^{\ensuremath{-}}$ in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9dee943fda7220afea89a6fbce78147d
https://doi.org/10.1103/physreva.95.042508
https://doi.org/10.1103/physreva.95.042508
Autor:
Xian Fang Yue
Publikováno v:
Advanced Materials Research. :505-508
A quasiclassical trajectory calculation is carried out to investigate the effect of reagent rotational excitation on product rotational polarization in the reactions Li + TF(v=0, j=0-5) → LiF + T. It is found that the reagent rotational excitation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::34edfafd0b8720465e3218e33b41f30f
https://doi.org/10.4028/www.scientific.net/amr.1033-1034.505
https://doi.org/10.4028/www.scientific.net/amr.1033-1034.505
Publikováno v:
Advanced Materials Research. :14-18
A first quasiclassical trajectory calculation for the reaction H + OCl OH + Cl, HCl + O has been carried out on the ground 11A' potential energy surface (PES) at the collision energy of 7.6 kcal/mol. The stereodynamics and product state distributions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::29c2a6fc675ae973f66303cf3c1ac991
https://doi.org/10.4028/www.scientific.net/amr.781-784.14
https://doi.org/10.4028/www.scientific.net/amr.781-784.14
Autor:
Xian-Fang Yue, Mei-Shan Wang
Publikováno v:
Chemical Physics. 405:155-160
Isotope effects on product polarization and reaction mechanism in the title reaction and its isotopic variants are investigated by employing the quasiclassical trajectory method. At a collision energy of 363 meV, the calculated differential cross sec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b00eb99a7d2132068758045c9ca65662
https://doi.org/10.1016/j.chemphys.2012.07.005
https://doi.org/10.1016/j.chemphys.2012.07.005
Autor:
Pei Feng, Xian-Fang Yue
Publikováno v:
Journal of Theoretical and Computational Chemistry. 11:663-674
Quasiclassical trajectory (QCT) calculations for the title reaction are carried out by employing the recent developed accurate potential energy surface of the 12A′ ground state. Two angular distributions, P(θr) and P(ϕr), with θr, ϕr being the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d348b9ac12d6ba40b37278028753703
https://doi.org/10.1142/s0219633612500447
https://doi.org/10.1142/s0219633612500447
Autor:
Jian-Pei Geng, Xian-Fang Yue
Publikováno v:
Journal of Theoretical and Computational Chemistry. 11:35-52
Quasiclassical trajectory (QCT) calculations have been performed to investigate the reaction dynamics of the title reactions at a state-to-state level. The recently developed adiabatic potential energy surfaces (PESs) of the two triplet electronic st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::92cbf38299664c2d37ea8be5798fa248
https://doi.org/10.1142/s0219633612500034
https://doi.org/10.1142/s0219633612500034