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Efficient and selective catalysis for hydrogenation and hydrosilation of alkenes and alkynes with PNP complexes of scandium and yttrium

Autor: Levine, DS, Tilley, TD, Andersen, RA

Publikováno v: Chemical communications (Cambridge, England), vol 53, iss 87
Levine, DS; Tilley, TD; & Andersen, RA. (2017). Efficient and selective catalysis for hydrogenation and hydrosilation of alkenes and alkynes with PNP complexes of scandium and yttrium. Chemical Communications, 53(87), 11881-11884. doi: 10.1039/c7cc06417a. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/7vv122hq

© 2017 The Royal Society of Chemistry. Scandium and yttrium congeneric complexes, supported by a monoanionic PNP ligand, were studied as catalysts for alkene hydrogenation and hydrosilation, and alkyne semihydrogenation and semihydrosilation. The yt

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::3d563a57a3e5da9c00f5d2ac9cbcbbb6
https://escholarship.org/uc/item/7vv122hq

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Quantifying the Role of Orbital Contraction in Chemical Bonding

Autor: Levine, DS, Head-Gordon, M

Publikováno v: The journal of physical chemistry letters, vol 8, iss 9
Levine, DS; & Head-Gordon, M. (2017). Quantifying the Role of Orbital Contraction in Chemical Bonding. Journal of Physical Chemistry Letters, 8(9), 1967-1972. doi: 10.1021/acs.jpclett.7b00766. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/4jf5h0pp

© 2017 American Chemical Society. This work reports an approach to variationally quantify orbital contraction in chemical bonds by an extension of an energy decomposition analysis (EDA). The orbital contraction energy is defined as the energy loweri

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::7d7fbc9f9b62839d378d7d2ab324c257
https://escholarship.org/uc/item/4jf5h0pp

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Synthetic control and empirical prediction of redox potentials for Co4O4cubanes over a 1.4 v range: Implications for catalyst design and evaluation of high-valent intermediates in water oxidation

Autor: Nguyen, AI, Wang, J, Levine, DS, Ziegler, MS, Tilley, TD

Publikováno v: Nguyen, AI; Wang, J; Levine, DS; Ziegler, MS; & Tilley, TD. (2017). Synthetic control and empirical prediction of redox potentials for Co4O4cubanes over a 1.4 v range: Implications for catalyst design and evaluation of high-valent intermediates in water oxidation. Chemical Science, 8(6), 4274-4284. doi: 10.1039/c7sc00627f. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/7ch8q021

© 2017 The Royal Society of Chemistry. The oxo-cobalt cubane unit [Co4O4] is of interest as a homogeneous oxygen-evolution reaction (OER) catalyst, and as a functional mimic of heterogeneous cobalt oxide OER catalysts. The synthesis of several new c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::c3100ee1296e51ac0da44002b5e8812b
http://www.escholarship.org/uc/item/7ch8q021

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Variational Energy Decomposition Analysis of Chemical Bonding. 1. Spin-Pure Analysis of Single Bonds

Autor: Levine, DS, Horn, PR, Mao, Y, Head-Gordon, M

Publikováno v: Journal of chemical theory and computation, vol 12, iss 10
Levine, DS; Horn, PR; Mao, Y; & Head-Gordon, M. (2016). Variational Energy Decomposition Analysis of Chemical Bonding. 1. Spin-Pure Analysis of Single Bonds. Journal of Chemical Theory and Computation, 12(10), 4812-4820. doi: 10.1021/acs.jctc.6b00571. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/3n75r2z5

© 2016 American Chemical Society. We have designed an energy decomposition analysis (EDA) to gain a deeper understanding of single chemical bonds, that is, those in which the interacting fragments are doublet open-shell systems but the supersystem i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::ac0de5296b41c813c21547866461bb17
https://escholarship.org/uc/item/3n75r2z5

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Chance Fracture After Pedicle Screw Fixation

Autor: Tarantino Sj, Dugas, Levine Ds, Boachie-Adjei O

Publikováno v: Spine. 23:382-385

STUDY DESIGN A case of a Chance fracture through an instrumented pedicle is presented. The radiographic and intraoperative findings and management of this complication are reported. OBJECTIVE To increase awareness of the complications of transpedicul

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb430d77792e9f207807d576bcfba546
https://doi.org/10.1097/00007632-199802010-00019

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