Zobrazeno 1 - 10
of 62
pro vyhledávání: '"J. A. TOSSELL"'
Autor:
J. A. Tossell
Publikováno v:
The Journal of Physical Chemistry C. 111:3584-3590
Hartree−Fock and density functional theory techniques have been used to calculate the structures, the stabilities in aqueous and toluene solutions, and the 19F and 29Si NMR shifts of F- encapsulating double-ring geometry silsesquixoanes DnR with n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5cb102df0765d0cdb95ad86f9eced3c8
https://doi.org/10.1021/jp065695q
https://doi.org/10.1021/jp065695q
Autor:
J. A. Tossell, Yun Liu
Publikováno v:
Magnetic Resonance in Chemistry. 42:S34-S40
(19)F and (27)Al NMR chemical shifts are calculated for the F and Al atoms of the mineral rosenbergite, AlF[F(0.5)(H(2)O)(0.5)](4).H(2)O The structure of rosenbergite consists of infinite chains of F-corner-sharing Al[F(4)(H(2)O)(2)] octahedra and is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cdd6c0cd0db74664d75e68c2eb8da3d5
https://doi.org/10.1002/mrc.1434
https://doi.org/10.1002/mrc.1434
Autor:
J A Tossell, Kasturi Lal Baluja
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 37:609-623
We present the elastic and the excitation cross sections of the four lowest-lying electronically excited states of the radical SF2 using the R-matrix method. These excited states have symmetries 1 3A2, 1 1A2, 1 3B1 and 1 1B1. Their vertical excitatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::50cedf8a13f2e4a202a6177d4dd38cb8
https://doi.org/10.1088/0953-4075/37/3/007
https://doi.org/10.1088/0953-4075/37/3/007
Autor:
Kasturi Lal Baluja, J A Tossell
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 36:19-32
The R-matrix method is used to study electron collisions with the molecular radical sulfur fluoride (SF). The elastic and excitation cross sections of the six lowest-lying electronically excited states of the SF radical are presented for incident ele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::374c084899fad5f46d6f836c1dd02fc8
https://doi.org/10.1088/0953-4075/36/1/303
https://doi.org/10.1088/0953-4075/36/1/303
Autor:
J. A. Tossell
Publikováno v:
Organometallics. 21:4523-4527
The commercial olefin polymerization cocatalyst methylaluminoxane (MAO) has a composition often described as (AlOCH3)n, but in fact it invariably shows an excess of CH3 over Al on the order of 40−50 mol %. The ratio of CH3 to Al can be determined i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44e6261ef9a383c3cad873adcb53bc8a
https://doi.org/10.1021/om020452f
https://doi.org/10.1021/om020452f
Autor:
J. A. Tossell
Publikováno v:
Aquatic Geochemistry. 7:239-254
Changes in the UV spectra of As(OH)3 solutions with variations in pH and temperature have recently been used to determine the temperature dependence of the pKa of the acid. In previous studies I used quantum mechanical techniques to study changes in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::766e58fc7039f8897733304daa8b6209
https://doi.org/10.1023/a:1015217332249
https://doi.org/10.1023/a:1015217332249
Autor:
J. A. Tossell
Modern approaches to the theoretical computation and experimental determination of NMR shielding tensors are described in twenty-nine papers based on lectures presented at the NATO ARW. All of the most popular computational methods are reviewed and r
Publikováno v:
Icarus. 112:541-544
Results of quantum statistical mechanical calculations and thermodynamic evaluation of the structure of H2CO3 and its stability against dissociation are reported. Under temperature and pressure conditions near the surface of Venus, carbonic acid woul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::69d6439baf2882930c4fe849e10dae68
https://doi.org/10.1006/icar.1994.1206
https://doi.org/10.1006/icar.1994.1206
Autor:
J. A. Tossell
Publikováno v:
Chemistry of Materials. 6:239-248
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b109aafcead3ced604c329fa6824dd27
https://doi.org/10.1021/cm00038a024
https://doi.org/10.1021/cm00038a024
Autor:
J. A. Tossell
Publikováno v:
ChemInform. 30
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9bf028a58d068ad4aebf6351d3de8c02
https://doi.org/10.1002/chin.199951247
https://doi.org/10.1002/chin.199951247