Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Alwin Cunje"'
Publikováno v:
Organometallics. 21:4293-4296
Mass spectrometric reaction rate measurements are reported that show the remarkable occurrence of the breaking of four C−F bonds and the formation of four new Nb+−F bonds in gas-phase collisions of Nb+ with hexafluoro- and tetrafluorobenzene. A m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f5fef33f4b77370138f249495fa03db
https://doi.org/10.1021/om020527f
https://doi.org/10.1021/om020527f
Publikováno v:
The Journal of Physical Chemistry A. 105:11073-11079
Direct bonding has been observed to occur between SiF3 + and the rare gases xenon, krypton, and argon in the gas phase at low collision energies and, in the case of xenon and krypton, also at high collision energies. The kinetics of low-energy additi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f2f70c20e8d21d519c656c7d447a975
https://doi.org/10.1021/jp011908u
https://doi.org/10.1021/jp011908u
Publikováno v:
Journal of the American Chemical Society. 123:3006-3012
Proton migration in protonated glycylglycylglycine (GGG) has been investigated by using density functional theory at the B3LYP/6-31++G(d,p) level of theory. On the protonated GGG energy hypersurface 19 critical points have been characterized, 11 as m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2137b9ee3cfbb00d95c259ca0d25af4
https://doi.org/10.1021/ja0015904
https://doi.org/10.1021/ja0015904
Autor:
Ivan K. Chu, Tamer Shoeib, K. W. Michael Siu, Alwin Cunje, Christopher F. Rodriquez, and Alan C. Hopkinson
Publikováno v:
The Journal of Physical Chemistry A. 104:5023-5028
The presence of an interacting water or methanol molecule has been shown to catalyze the 1,3-proton shift in a peptide linkage between the tautomers of protonated formamide and glycylglycylglycine. Density functional theory calculations at the B3LYP/
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::246dae6d690a51643395e883868033ca
https://doi.org/10.1021/jp9940203
https://doi.org/10.1021/jp9940203
Publikováno v:
Canadian Journal of Chemistry. 76:1138-1143
Molecular orbital calculations are reported for N2H+ and N2CH3+ and for the transition structures for the rearrangement of these ions by 1,2-shifts of H and CH3. All reaction profiles were also calculated with one atom of noble gas, M, present (M = N
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::99cab834d63fdb45f902c3347c5ab5c2
https://doi.org/10.1139/v98-119
https://doi.org/10.1139/v98-119
Publikováno v:
The Journal of Physical Chemistry A. 102:478-483
Molecular orbital calculations using density functional theory at the B3LYP/6-311++G(d,p) level have been used to optimize structures for ions COR+···M and M···RCO+ and also for the transition structures COR+···M(ts) for their interconversio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f291dd5af4a71a1bf0049be96f80a32b
https://doi.org/10.1021/jp9726549
https://doi.org/10.1021/jp9726549
Autor:
Christopher F. Rodriquez, A. C. Hopkinson, Alwin Cunje, Edward Lee-Ruff, M. Bertone, D.L.J. Vucković
Publikováno v:
Canadian Journal of Chemistry. 73:1468-1477
Abinitio: molecular orbital calculations at MP2(FULL)/6-311G(d,p) or MP2(FULL)/6-31G(d,p) are reported for carbocations RR′CCHO+, RR′CCHS+, RR′CCONH2+, and RR′CCSNH2+where R and R′ are H, CH3, C-C3H5, and C6H5. Primary (R=R′=H), secondary
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::caa32807605d3c3e70f5fbf160bdee6e
https://doi.org/10.1139/v95-182
https://doi.org/10.1139/v95-182
Publikováno v:
International psychogeriatrics. 19(1)
Background: Repeat cognitive testing is an essential diagnostic strategy to measure changes in cognition over time when following people with memory problems. Alternate forms may avert practice effects that can mimic improvements in cognition. We eva
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::757fc6c9bbf33fa5c2c6b435bd55df14
https://pubmed.ncbi.nlm.nih.gov/16684396
https://pubmed.ncbi.nlm.nih.gov/16684396
Publikováno v:
International psychogeriatrics. 18(3)
Background: Depression is common in elderly people but physicians may not screen for it because of the length of time required by current screening instruments. We have developed a short screening instrument for depression for use in elderly people w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5cc1e18f7dca0e7cae13c17a94f323ff
https://pubmed.ncbi.nlm.nih.gov/16640793
https://pubmed.ncbi.nlm.nih.gov/16640793
Publikováno v:
Journal of the American Society for Mass Spectrometry. (4):408-416
Collision-induced dissociation experiments on the Ag+–phenylalanine complex using several collision energies were shown to yield ten different fragment ions. Unambiguous assignment of these fragment ions were made by careful analysis of deuterium l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be5695f9064edb45c7fff0735cadfe26