Zobrazeno 1 - 10
of 244
pro vyhledávání: '"Tadafumi, Uchimaru"'
Autor:
Seiji Tsuzuki, Tadafumi Uchimaru
Publikováno v:
Physical Chemistry Chemical Physics. 22:22508-22519
Intermolecular interaction potentials for benzene, propane, perfluoromethane, furan, thiophene, selenophene, pyridine, phosphorine dimers and benzene-methane, benzene-chlorobenzene, benzene-bromobenzene complexes were calculated using the BLYP, B97 (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a94dbdebba8b23b81ba3a7ee775c29c5
https://doi.org/10.1039/d0cp03679j
https://doi.org/10.1039/d0cp03679j
Publikováno v:
RSC Advances. 10:15955-15965
Isocyanurates are cyclic trimers of isocyanate molecules. They are generally known as highly thermostable compounds. However, it is interesting how the thermal stabilities of the isocyanurate molecules will be altered depending on the substituents of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eef4ac1478fcd821da7e59a70625c329
https://doi.org/10.1039/d0ra02463e
https://doi.org/10.1039/d0ra02463e
Publikováno v:
Atmospheric Environment. 185:7-14
E–CF3CH=CHC2F5 is a promising substance that could be used as high temperature bump working fluid. In this study, the rate constants (k1) for the reaction of E−CF3CH=CHC2F5 with OH were measured by the relative rate method: k1 (298 K) = (9.10 ±
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dea7d7e7529f40405b2058dc85afb805
https://doi.org/10.1016/j.atmosenv.2018.04.047
https://doi.org/10.1016/j.atmosenv.2018.04.047
Publikováno v:
Atmospheric Environment. 179:69-76
The rate constants for the gas-phase reactions of cyc-CF2CF2CF2CH=CH– with OH radicals were determined by a relative rate method between 253 and 328 K. The rate constant k1 at 298 K was measured to be (1.08 ± 0.04) × 10−13 cm3 molecule−1 s−
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::14fcd565fe324f4ed9e1e7b48c3e4407
https://doi.org/10.1016/j.atmosenv.2018.02.005
https://doi.org/10.1016/j.atmosenv.2018.02.005
Publikováno v:
The Journal of Physical Chemistry A. 122:3120-3127
The rate constants for the reactions of OH radical with (E)- and (Z)-isomers of CF3CF═CHCl and CHF2CF═CHCl have been measured over the temperature range of 250–430 K. Kinetic measurements have been performed using flash and laser photolysis met
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9002c29980896abf2f907abeaf1ebc77
https://doi.org/10.1021/acs.jpca.7b11923
https://doi.org/10.1021/acs.jpca.7b11923
Publikováno v:
Atmospheric Environment. 160:46-54
As a high-profile etching gas, perfluorocyclopentene (cyc-CF 2 CF 2 CF 2 CF=CF−) should be assessed for its atmospheric chemistry and environmental impact prior to expanding its industrial applications. However, the corresponding studies have been
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::98879c152086819b39b0e148d4cd3d82
https://doi.org/10.1016/j.atmosenv.2017.04.012
https://doi.org/10.1016/j.atmosenv.2017.04.012
Publikováno v:
Journal of Fluorine Chemistry. 194:33-39
The strengths of π-bonds in a series of fluorinated ethylenes have been computationally investigated, and the potential energy surfaces for thermal C C bond rotation in fluorinated ethylenes, as well as in ethylene, have been explored. The computed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0e6b2c33ec2c79543f50da347392e181
https://doi.org/10.1016/j.jfluchem.2016.12.015
https://doi.org/10.1016/j.jfluchem.2016.12.015
Autor:
Tadafumi Uchimaru, Junji Mizukado
Publikováno v:
Journal of Fluorine Chemistry. 245:109772
The (E)- and (Z)-geometrical isomers of fluorinated propenes (CWZ = CY−CX3, W, X, Y, and Z = H or F) are computationally investigated. Our calculations show that geometrical isomers with two fluorine atoms located at the cis positions of the C C bo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de7f81e8e0241a37bba5254dbed19059
https://doi.org/10.1016/j.jfluchem.2021.109772
https://doi.org/10.1016/j.jfluchem.2021.109772
Publikováno v:
Vibrational Spectroscopy. 88:49-55
Non-equilibrium behavior of liquid mixture of polyethylene glycol (PEG) and polypropylene glycol (PPG) is studied. During the phase variation of PEG/PPG mixture, time-resolved Fourier transform infrared (FTIR) spectra were collected by attenuated tot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::38af32fb109bb9f68a242abf3ba3d2e1
https://doi.org/10.1016/j.vibspec.2016.11.001
https://doi.org/10.1016/j.vibspec.2016.11.001
Publikováno v:
The Journal of Physical Chemistry A. 120:7020-7029
Geometries of benzene complexes with C6F5X, C6H5X, and CF3X (X is I, Br, Cl, and F) were optimized, and their interaction energies were evaluated. The CCSD(T) interaction energies at the basis set limit (Eint) of C6F5X (X is I, Br, Cl, and F) with be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f937cf9ca8efef4f4f04f46421dcbcc
https://doi.org/10.1021/acs.jpca.6b06295
https://doi.org/10.1021/acs.jpca.6b06295