Zobrazeno 1 - 10
of 70
pro vyhledávání: '"Dioxygen difluoride"'
Autor:
Haaland, Arne, author
Publikováno v:
Molecules and Models : The molecular structures of main group element compounds, 2008, ill.
Externí odkaz:
https://doi.org/10.1093/acprof:oso/9780199235353.003.0017
Publikováno v:
Canadian Journal of Chemistry. 94:176-187
The structural and conformational properties of dioxygen difluoride (1), dioxygen dichloride (2), and dioxygen dibromide (3) have been investigated by means of the hybrid density functional theory (B3LYP) and the hybrid meta exchange-correlation func
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::754380c06dac147d95a6986d27015443
https://doi.org/10.1139/cjc-2015-0399
https://doi.org/10.1139/cjc-2015-0399
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (17), pp.11826-11832. ⟨10.1039/C7CP08659H⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (17), pp.11826-11832. ⟨10.1039/C7CP08659H⟩
Dioxygen difluoride is a tough molecule that has defied accurate theoretical description for many decades. In the present work we have identified the reason for this resistance: the flatness of the OO, and more important OF, stretching potential ener
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77079e6c30745751223ca421f4639a56
https://hal.univ-reims.fr/hal-01804948
https://hal.univ-reims.fr/hal-01804948
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 804:95-100
The hybrid DFT methods with 12 different basis sets were used for the computation of FOOF. Comparison with CCSD/6-311 + G* method was made. The availability and shortcoming of DFT methods for FOOF were pointed out. On that basis, the binary compounds
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de10850f67ff85069b9054a2d3d8cbfe
https://doi.org/10.1016/j.theochem.2006.10.017
https://doi.org/10.1016/j.theochem.2006.10.017
Publikováno v:
Atomic Energy. 92:57-63
Fluoridation of uranium tetrafluoride by atomic fluorine and radiolytic plutonium tetrafluoride by atomic fluorine and dioxygen difluoride are investigated. The mechanism and the limiting stages of the processes with atomic fluorine are described. It
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07f2fa65debc25baaea66c9e1bafa06f
https://doi.org/10.1023/a:1015106730457
https://doi.org/10.1023/a:1015106730457
Publikováno v:
Journal of Alloys and Compounds. 269:63-66
Neptunium dioxide and tetrafluoride are converted in essentially quantitative yield to volatile neptunium hexafluoride by dioxygen difluoride (O2F2), both in gas–solid reactions at ambient temperatures and in liquid anhydrous hydrogen fluoride at
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::715b222eab1d9b9e9829d8ac69b5da17
https://doi.org/10.1016/s0925-8388(98)00005-x
https://doi.org/10.1016/s0925-8388(98)00005-x
Autor:
W.H. Woodruff, P. G. Eller, C.F. Pace, R. J. Kissane, Scott A. Kinkead, Kent D. Abney, Michael P. Eastman
Publikováno v:
Journal of Fluorine Chemistry. 73:137-146
The decomposition of gaseous dioxygen difluoride (FOOF) and dioxygen fluoride (FOO) to F2 and O2 at ambient temperature has been studied by electron paramagnetic resonance (EPR) spectroscopy, Fourier-transform infrared (FT-IR) spectroscopy and transi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee6d892d8642bfb3a705fcb583d938eb
https://doi.org/10.1016/0022-1139(95)03230-b
https://doi.org/10.1016/0022-1139(95)03230-b
Autor:
Thomas R. Mills
Publikováno v:
ChemInform. 23
Dioxygen difluoride (O 2 F 2 ) was produced directly in the liquid phase at temperatures above −154°C. An O 2 /F 2 gas mixture was heated to 700°C and was then rapidly cooled on the outer surface of stainless steel tubes. The tubes were refrigera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7064f22901795f3df1ef4d221fbd71f9
https://doi.org/10.1002/chin.199205024
https://doi.org/10.1002/chin.199205024
Publikováno v:
ChemInform. 29
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c605726f1bc1a86cf0cfe142e4a1e912
https://doi.org/10.1002/chin.199832017
https://doi.org/10.1002/chin.199832017
Autor:
Peter Pulay, Rui Feng. Liu
Publikováno v:
The Journal of Physical Chemistry. 94:5548-5551
The unrestricted Hartree-Fock (UHF) wave function is fundamental for the description of open-shell systems. However, finding solutions to the UHF equations is often not trivial, particularly in systems with an even number of electrons. In addition, t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::69caf8c47ad42892f7079b363aeb77ec
https://doi.org/10.1021/j100377a026
https://doi.org/10.1021/j100377a026