Zobrazeno 1 - 10 of 76 pro vyhledávání: '"D. B. Jacobson"'
1
Structure and Reactivity Studies of CoHNO+ in the Gas Phase
Autor: Huiping Chen, D. B. Jacobson, Ben S. Freiser
Publikováno v: The Journal of Physical Chemistry A. 103:10884-10892
The structure and energetics of three CoHNO{sup +} isomers [HCo(NO){sup +} (1), Co(HNO){sup +} (2), Co(NOH){sup +} (3)] were probed by using density functional theory (DFT). Theory predicts that 2 is the most stable structure with 1 and 3 14.1 and 15
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9bcc42555c12a8046a74a9804e5f7d1f
https://doi.org/10.1021/jp991791y
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4
Transition-metal mediated heteroatom removal by reactions of FeL+ [L=O, C4H6, c-C5H6, c-C5H5, C6H6, C5H4(=CH2)] with furan, thiophene, and pyrrole in the gas phase
Autor: D. B. Jacobson, R. Bakhtiar
Publikováno v: Journal of the American Society for Mass Spectrometry. 7:938-952
Reactions of Fe(+) and FeL(+) [L=O, C4H6, c-C5H6, C5H5, C6H6, C5H4(=CH2)] with thiophene, furan, and pyrrole in the gas phase by using Fourier transform mass spectrometry are described. Fe(+), Fe(C5H5)(+), and FeC6H 6 (+) yield exclusive rapid adduct
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::213b1c135a4c1894f0368607edcfffc6
https://doi.org/10.1016/1044-0305(96)00024-4
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5
Ab Initio Molecular Orbital Investigation of the Unimolecular Decomposition of CH3SiH2+
Autor: Mark S. Gordon, R. Bakhtiar, Lisa A. Pederson, D. B. Jacobson
Publikováno v: The Journal of Physical Chemistry. 99:148-153
The potential energy surface for the decomposition of CH[sub 3]SiH[sub 2][sup +] was studied by ab initio electronic structure theory. At the MP2/6-31G(d,p) level of theory, CH[sub 3]SiH[sub 2][sup +] is the only minimum energy structure on the SiCH[
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0afd5a9512af49daf846e77512e070fa
https://doi.org/10.1021/j100001a026
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6
Unimolecular dissociation of methylsilylium and monochloromethylsilylium in the gas phase
Autor: R. Bakhtiar, C. M. Holznagel, D. B. Jacobson
Publikováno v: The Journal of Physical Chemistry. 97:12710-12717
The mechanisms for the lowest energy barrier pathways for unimolecular dissociation of CH 3 SiH 2 + and CH 3 -Si(Cl)H + were examined in the gas phase by using Fourier transform mass spectrometry (FTMS). Collision-activated dissociation (CAD) by usin
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1acb2a92d752ba0481d9c0dcbc285423
https://doi.org/10.1021/j100151a014
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7
Generation, characterization, and properties of iron-silylene and iron-silene cationic complexes in the gas phase
Autor: R. Bakhtiar, D. B. Jacobson
Publikováno v: Journal of the American Chemical Society. 115:10830-10844
Generation, characterization, and properties of iron-silylene (Fe=SiRR') and iron-silene (Fe(CH 2 =SiRR')) cations (R, R'=H, CH 3 ) are describe in the gas phase by using Fourier transform mass spectrometry (FTMS). Iron-(silylene/silene) cations were
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5d7ad248d9f9425846382b39feb00e6c
https://doi.org/10.1021/ja00076a046
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