Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Steven S. Hepperle"'
Autor:
Steven S. Hepperle, Yan Alexander Wang
Publikováno v:
The Journal of Physical Chemistry A. 117:4657-4663
Computational methods were used to study the surprising 2004 synthesis of decamethyldizincocene, Zn2(η(5)-C5Me5)2, which was the first molecule to have a direct, unbridged bond between two first-row transition metals. The computational results show
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9085d5a856712e0812dfd4840a5b85df
https://doi.org/10.1021/jp311683p
https://doi.org/10.1021/jp311683p
Publikováno v:
Research Journal of Textile and Apparel. 15:67-74
Although new wheat protein fibers have been reported to be crosslinked to obtain good mechanical properties, the effect of formaldehyde-free chemical crosslinking conditions on the mechanical properties of crosslinked wheat gluten fibers has not been
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0c3212f83c043dd7f3a3282e49fe4423
https://doi.org/10.1108/rjta-15-03-2011-b008
https://doi.org/10.1108/rjta-15-03-2011-b008
Autor:
Yan Alexander Wang, Sayyed Faramarz Tayyari, Steven S. Hepperle, Hossein Azizi-Toupkanloo, Mansoureh Zahedi-Tabrizi
Publikováno v:
Chemical Physics. 368:62-65
A simple, practical method for treating the proton tunneling in 2-nitromalonaldehyde (NO2MA) was used. A two-dimensional potential energy surface (PES) function, which couples OH stretching and in-plane bending modes, has been constructed for motions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dcb5796b06691c6dbb548e87d95002cf
https://doi.org/10.1016/j.chemphys.2009.12.016
https://doi.org/10.1016/j.chemphys.2009.12.016
Publikováno v:
Tetrahedron Letters. 50:6909-6912
A meso-2,6-dichlorophenyl pentapyrrin was prepared using a modified method for dipyrrane synthesis followed by simple DDQ oxidation. The fully conjugated structures formed via redox inter-conversions were studied using crystallographic as well as obs
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66da1332124bf25f9bef5f2b4879d461
https://doi.org/10.1016/j.tetlet.2009.09.145
https://doi.org/10.1016/j.tetlet.2009.09.145
Autor:
Yan Alexander Wang, Steven S. Hepperle
Publikováno v:
The Journal of Physical Chemistry A. 112:9619-9622
We have used density functional theory and ab initio methods to study different mechanistic possibilities for the formation of decamethyldizincocene from the reaction between decamethylzincocene and diethylzinc. Our results suggest that decamethyldiz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b35dae18a274a33963d6ccf45ac11a4
https://doi.org/10.1021/jp804364j
https://doi.org/10.1021/jp804364j
Autor:
Andrew G. H. Wee, Zhongyi Wang, Steven S. Hepperle, Allan L. L. East, Ron G. TrebleR.G. Treble
Publikováno v:
The Journal of Physical Chemistry A. 110:5985-5989
The possible competition of Z/E versus hydrogen-shift isomerization in (E)-5-phenyl-3-penten-2-one (E-1) and (E)-5-phenyl-4-penten-2-one (E-2) was studied, both experimentally and theoretically. Iodine-catalyzed isomerization experiments and computat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::623cc36a0aaf0e17f2e40849768259c9
https://doi.org/10.1021/jp0572075
https://doi.org/10.1021/jp0572075
Publikováno v:
The Journal of Physical Chemistry A. 109:10975-10981
Iodine is commonly used to speed the equilibration of Wittig cis/trans alkene products. This study uses computational chemistry to study the catalyzed isomerization mechanism in detail for seven different examples of 1,2-disubstituted alkenes. We fin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::718b965814f7f0768a2fa7ae40fd46d9
https://doi.org/10.1021/jp053727o
https://doi.org/10.1021/jp053727o
Autor:
Yan Alexander Wang, Steven S. Hepperle
Publikováno v:
The journal of physical chemistry. A. 117(49)
Computational methods were used to study the experimental finding that forming decamethyldizincocene is more efficient when using a reducing agent (e.g., KH) and ZnCl2 as opposed to a sole ZnR2 reagant. The results show that the methyl groups of deca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::635d159b6a6d07624e3f65047bf6df13
https://pubmed.ncbi.nlm.nih.gov/24274097
https://pubmed.ncbi.nlm.nih.gov/24274097
Publikováno v:
Chemical Communications. :2323
alpha- and beta-tripyrrinone isomers (), and a C(2) symmetric hexapyrrole () were isolated from the oxidation of meso-perfluorophenyl tripyrrane (and meso-2,6-dichlorophenyl tripyrrane ) with DDQ under aerobic conditions, and the structure of was det
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e8f237e8defeb9de23e3c7b818f302eb
https://doi.org/10.1039/b901171b
https://doi.org/10.1039/b901171b
Autor:
Steven S. Hepperle, Yan Alexander Wang
Publikováno v:
Journal of Physical Chemistry A; Sep2008, Vol. 112 Issue 40, p9619-9622, 4p