Výsledky vyhledávání - "M. Danielle Temple"

Computational Study of Methane Activation by TpRe(CO)2 and CpRe(CO)2 with a Stereoelectronic Comparison of Cyclopentadienyl and Scorpionate Ligands

Autor: Robert G. Bergman, Aaron M. Gillespie, W. Dean Harman, Thomas R. Cundari, T. Brent Gunnoe, David P. White, M. Danielle Temple, Thomas R. Klinckman

Publikováno v: Organometallics. 22:2331-2337

A computational investigation of metal-based C−H activation with complexes that possess scorpionate (i.e., tris(pyrazolyl)borate) and cyclopentadienyl ligands was reported. The model tris(azo)borate ligand (Tab; [HB(NNH)3]-) was created as an alter

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a73b49a3e1f337330c48d920248b4d5d
https://doi.org/10.1021/om021048j

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A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites

Autor: Thomas R. Cundari, M. Danielle Temple, Yong Zhao, Norris W. Hoffman, Karl A. Pittard, Katharine D. Cooney

Publikováno v: Journal of the American Chemical Society. 125:4318-4324

This research has demonstrated the utility of a rigorously calibrated, molecular mechanics/semiempirical quantum mechanical protocol for developing stereoelectronic (Tolman) maps for phosphine ligands. A computational analysis of alkyl and aryl phosp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bed6c56b78f353d4005a2eaeb65c22e1
https://doi.org/10.1021/ja021254i

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