Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Steven M. Bischof"'
Autor:
Steven M. Maley, Robert Steagall, Graham R. Lief, Richard M. Buck, Qing Yang, Orson L. Sydora, Steven M. Bischof, Daniel H. Ess
Publikováno v:
Organometallics. 41:581-593
Autor:
Steven M. Maley, Graham R. Lief, Richard M. Buck, Orson L. Sydora, Qing Yang, Steven M. Bischof, Daniel H. Ess
Publikováno v:
Journal of computational chemistryREFERENCES.
Quantum-mechanical-based computational design of molecular catalysts requires accurate and fast electronic structure calculations to determine and predict properties of transition-metal complexes. For Zr-based molecular complexes related to polyethyl
Autor:
Johnathan C. Stanley, Daniel H. Ess, Doo-Hyun Kwon, Steven M. Bischof, Orson L. Sydora, Steven M. Maley
Publikováno v:
ACS Catalysis. 10:9674-9683
Cr phosphine catalysts are uniquely suited for industrial selective ethylene trimerization to 1-hexene. We recently introduced a Cr N-phosphinoamidine catalyst ((P,N)Cr) transition-state model for ...
Autor:
Steven M. Bischof, Orson L. Sydora, Nick Rollins, Doo-Hyun Kwon, Steven M. Maley, Daniel H. Ess, Johnathan C. Stanley
Publikováno v:
Chemical Science
The use of data science tools to provide the emergence of non-trivial chemical features for catalyst design is an important goal in catalysis science. Additionally, there is currently no general strategy for computational homogeneous, molecular catal
Publikováno v:
The Journal of Physical Chemistry C. 123:3727-3739
Molecular, Fe-catalyzed ethylene oligomerization provides access to a range of linear α-olefins (LAOs) that are used to produce polyethylene, lubricants, surfactants, and other commercial products. This work provides an experimental example of an Fe
Autor:
Nathan Morgan, Steven M. Maley, Doo-Hyun Kwon, Michael S. Webster-Gardiner, Brooke L. Small, Orson L. Sydora, Steven M. Bischof, Daniel H. Ess
Publikováno v:
Journal of Organometallic Chemistry. 961:122251
Autor:
Steven Maley, Doo-Hyun Kwon, Nick Rollins, Johnathan Stanley, Orson Sydora, Steven M. Bischof, Daniel Ess
The use of data science tools to provide the emergence of nontrivial chemical features for catalyst design is an important goal in catalysis science. Additionally, there is currently no general strategy for computational homogeneous, molecular cataly
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::858d570066feb77d1634767971591c48
https://doi.org/10.26434/chemrxiv.12578552
https://doi.org/10.26434/chemrxiv.12578552
Autor:
Michael D. Lumsden, Daniel H. Ess, Laura Turculet, Michael J. Ferguson, Takahiko Ogawa, Steven M. Bischof, Jack T. Fuller, Robert McDonald, Orson L. Sydora, Casper M. Macaulay, Mark Stradiotto, Doo-Hyun Kwon, Samantha J. Gustafson
Publikováno v:
ACS Catalysis. 8:9907-9925
We describe the results of our combined experimental and computational investigation of structurally analogous (N-phosphinoamidinate)metal(N(SiMe3)2) precatalysts ((PN)M; M = Mn2+, Fe2+, Co2+, and Ni2+; d5–d8) in the isomerization–hydroboration o
Autor:
Steven M. Bischof, Jack T. Fuller, Uriah J. Kilgore, Daniel H. Ess, Orson L. Sydora, Doo-Hyun Kwon
Publikováno v:
ACS Catalysis. 8:1138-1142
Computational design of molecular homogeneous organometallic catalysts followed by experimental realization remains a significant challenge. Here, we report the development and use of a density functional theory transition-state model that provided q
Autor:
Anjaneyulu Koppaka, Roy A. Periana, Steven M. Bischof, Niles Jensen Gunsalus, Sae Hume Park, Brian G. Hashiguchi
Publikováno v:
Chemical Reviews. 117:8521-8573
One of the remaining “grand challenges” in chemistry is the development of a next generation, less expensive, cleaner process that can allow the vast reserves of methane from natural gas to augment or replace oil as the source of fuels and chemic