Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Peter M. Margl"'
Autor:
Scott D. Boelter, Mari S. Rosen, Kara A. Milbrandt, Darrek Mort, David R. Wilson, Jerzy Klosin, Dan R. Davies, Molly Wiltzius, Peter M. Margl, Britt A. Vanchura
Publikováno v:
Organometallics. 39:976-987
Chromium complexes with bis(phospholane) ligands were synthesized and evaluated for ethylene tetramerization in a high-throughput reactor. Three ligand parameters—the phospholane substituent, the l...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::355e632de171ee784b902593ec1c5b33
https://doi.org/10.1021/acs.organomet.9b00722
https://doi.org/10.1021/acs.organomet.9b00722
Autor:
Robert D. J. Froese, Edward L. Lee, SonBinh T. Nguyen, Peter M. Margl, Thomas H. Peterson, Amy A. Sarjeant, Nicole L. Wagner, Yalan Ning, Charlotte L. Stern
Publikováno v:
Organometallics. 33:1120-1125
Zerovalent group 6 dinitrogen phosphine complexes react with 3,3-diphenylcyclopropene to give vinylcarbyne hydride complexes that have been characterized crystallographically. Computational studies indicate that the observed products resulted from th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c5e6d2ca26661dac066dd17b35e5851
https://doi.org/10.1021/om4006214
https://doi.org/10.1021/om4006214
Autor:
Peter M. Margl
Publikováno v:
Canadian Journal of Chemistry. 87:891-903
Anionic butadiene polymerization by means of [Li-polybutadienyl]x species (x = 1–6, 8) without polar agents was investigated by means of density functional theory (DFT) under conditions relevant to industrial application, namely in a low-dielectric
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9d86a4cdfbd08ed605ed46e4044e2500
https://doi.org/10.1139/v09-032
https://doi.org/10.1139/v09-032
Publikováno v:
QSAR & Combinatorial Science. 24:38-44
In the last few years, high-throughput reactors have small received significant attention due to the potential they offer for fast material development. While many experimental design techniques are proposed, statistical issues related to experimenta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c27dd182e0c67341521138754d9c185e
https://doi.org/10.1002/qsar.200420065
https://doi.org/10.1002/qsar.200420065
Autor:
and Peter C. Saucier, Kenneth A. Burdett, Tezi Mokhtar-Zadeh, Eric P. Wasserman, Peter M. Margl, Bob R. Maughon, Lori D. Harris
Publikováno v:
Organometallics. 23:2027-2047
The conversion of seed oil based feedstocks such as methyl oleate into useful commercial raw materials via olefin metathesis has been a research focus for decades, due to their low cost and renewable supply, but technical success has been limited due
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd8b47058c69d3940cc6f81c5d2cbe52
https://doi.org/10.1021/om0341799
https://doi.org/10.1021/om0341799
Publikováno v:
Organometallics. 17:3240-3253
Ethylene polymerization catalyzed by group-4 diamide complexes has been studied by molecular modeling. The modeling was based on pure density functional theory (DFT) in the case of the generic [RNCH2CH2CH2NR]MCH2CH2CH3+ complexes with R = H and M = T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6711663d2e7eed5191110418b3a691e5
https://doi.org/10.1021/om9803164
https://doi.org/10.1021/om9803164
Publikováno v:
Journal of the American Chemical Society. 119:6177-6186
The role of the bulky ligands in Ni(II) diimine catalyzed ethylene polymerization has been examined with a combined density functional theory quantum mechanics and molecular mechanics (QM/MM) model. Specifically, we have examined the catalytic center
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::969cd83ed2c1b9a25f034f593e3090c1
https://doi.org/10.1021/ja970226a
https://doi.org/10.1021/ja970226a
Publikováno v:
Catalytic Synthesis of Alkene-Carbon Monoxide Copolymers and Cooligomers ISBN: 9781461348665
Synthesis of alkene/carbon monoxide cooligomers and copolymers by transition metal catalysts was pioneered more than 50 years ago by Reppe using nickel based complexes. The Reppe [1] catalyst produced only low- melting oligomers and was not used on a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec84b434aecbd2a6c350412c0b4db6e0
https://doi.org/10.1007/978-1-4419-9266-6_9
https://doi.org/10.1007/978-1-4419-9266-6_9
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Autor:
Jiali Gao, MARK A. THOMPSON, Kenneth M. Merz, Jörg Bentzien, Jan Florián, Timothy M. Glennon, Arieh Warshel, Cristobal Alhambra, Kyoungrim Byun, Iris Antes, Walter Thiel, Isaac B. Bersuker, Max K. Leong, James E. Boggs, Robert S. Pearlman, Eugene V. Stefanovich, Thanh N. Truong, José C. Corchado, Donald G. Truhlar, Tom K. Woo, Peter M. Margl, Liqun Deng, Tom Ziegler, Michael J. Bearpark, Barry R. Smith, Fernando Bernardi, Massimo Olivucci, Michael A. Robb, Dongqing Wei, Dennis R. Salahub, Hyung J. Kim, Badry D. Bursulaya, Jonggu Jeon, Dominic A. Zichi, Fumio Hirata, Hirofumi Sato, Seiichiro Ten-no, Shigeki Kato, Gregory D. Hawkins, Tianhai Zhu, Jiabo Li, Candee C. Chambers, David J. Giesen, Daniel A. Liotard, Christopher J. Cramer, Piet Th. van Duijnen, Marcel Swart, Ferdinand Grozema, Xavier Assfeld, Nicolas Ferré, Jean-Louis Rivail, Peter L. Cummins, Jill E. Gready, Ursula Röthlisberger, Darrin M. York, Volkhard Helms, Erik F. Y. Hom, T. P. Straatsma, J. Andrew McCammon, Peter Langhoff