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Simone Raugei

Showing results (51-60 of 101) with videos related to

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Journal of the American Chemical Society|February 10, 2007
Mechanical stabilization effect of water on a membrane-like systemMatteo Castronovo, Fouzia Bano, Simone Raugei, et al.
The Journal of Chemical Physics|November 21, 2025
Confinement-controlled selective CO2 insertion into a dicopper dihydride core: A multiscale mechanistic studyJack T Fuller, Evan A Patrick, Gregory K Schenter, et al.
Biophysical Chemistry|June 2, 2006
Polarization effects and charge transfer in the KcsA potassium channelDenis Bucher, Simone Raugei, Leonardo Guidoni, et al.
Accounts of Chemical Research|January 10, 2015
Toward molecular catalysts by computerSimone Raugei, Daniel L DuBois, Roger Rousseau, et al.
Journal of Chemical Theory and Computation|November 19, 2024
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe<sub>2</sub>S<sub>2</sub>(SCH<sub>3</sub>)<sub>4</sub>]<sup>2-,3-,4-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(SCys)<sub>4</sub>]<sup>2-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(S-<i>p</i>-tol)<sub>4</sub>]<sup>2-</sup>, and [Fe<sub>2</sub>S<sub>2</sub>(S-<i>o</i>-xyl)<sub>4</sub>]<sup>2-</sup> ComplexesDemeter Tzeli, Pavlo Golub, Jiri Brabec, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|November 17, 2009
Changes in non-core regions stabilise plastocyanin from the thermophilic cyanobacterium Phormidium laminosumFrancisco J Muñoz-López, Simone Raugei, Miguel A De la Rosa, et al.
Chemical Communications (Cambridge, England)|April 13, 2019
Design and reactivity of pentapyridyl metal complexes for ammonia oxidationSamantha I Johnson, Spencer P Heins, Christina M Klug, et al.
Journal of the American Chemical Society|December 16, 2020
Electron Redistribution within the Nitrogenase Active Site FeMo-Cofactor During Reductive Elimination of H<sub>2</sub> to Achieve N≡N Triple-Bond ActivationDmitriy A Lukoyanov, Zhi-Yong Yang, Dennis R Dean, et al.
Inorganic Chemistry|April 5, 2011
Incorporating peptides in the outer-coordination sphere of bioinspired electrocatalysts for hydrogen productionAvijita Jain, Sheri Lense, John C Linehan, et al.
Chemical Communications (Cambridge, England)|October 9, 2012
Distant protonated pyridine groups in water-soluble iron porphyrin electrocatalysts promote selective oxygen reduction to waterBenjamin D Matson, Colin T Carver, Amber Von Ruden, et al.
Pageof 11

Showing results (51-60 of 101) with videos related to

Sort By:
Pageof 11
Journal of the American Chemical Society|February 10, 2007
Mechanical stabilization effect of water on a membrane-like systemMatteo Castronovo, Fouzia Bano, Simone Raugei, et al.
The Journal of Chemical Physics|November 21, 2025
Confinement-controlled selective CO2 insertion into a dicopper dihydride core: A multiscale mechanistic studyJack T Fuller, Evan A Patrick, Gregory K Schenter, et al.
Biophysical Chemistry|June 2, 2006
Polarization effects and charge transfer in the KcsA potassium channelDenis Bucher, Simone Raugei, Leonardo Guidoni, et al.
Accounts of Chemical Research|January 10, 2015
Toward molecular catalysts by computerSimone Raugei, Daniel L DuBois, Roger Rousseau, et al.
Journal of Chemical Theory and Computation|November 19, 2024
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe<sub>2</sub>S<sub>2</sub>(SCH<sub>3</sub>)<sub>4</sub>]<sup>2-,3-,4-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(SCys)<sub>4</sub>]<sup>2-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(S-<i>p</i>-tol)<sub>4</sub>]<sup>2-</sup>, and [Fe<sub>2</sub>S<sub>2</sub>(S-<i>o</i>-xyl)<sub>4</sub>]<sup>2-</sup> ComplexesDemeter Tzeli, Pavlo Golub, Jiri Brabec, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|November 17, 2009
Changes in non-core regions stabilise plastocyanin from the thermophilic cyanobacterium Phormidium laminosumFrancisco J Muñoz-López, Simone Raugei, Miguel A De la Rosa, et al.
Chemical Communications (Cambridge, England)|April 13, 2019
Design and reactivity of pentapyridyl metal complexes for ammonia oxidationSamantha I Johnson, Spencer P Heins, Christina M Klug, et al.
Journal of the American Chemical Society|December 16, 2020
Electron Redistribution within the Nitrogenase Active Site FeMo-Cofactor During Reductive Elimination of H<sub>2</sub> to Achieve N≡N Triple-Bond ActivationDmitriy A Lukoyanov, Zhi-Yong Yang, Dennis R Dean, et al.
Inorganic Chemistry|April 5, 2011
Incorporating peptides in the outer-coordination sphere of bioinspired electrocatalysts for hydrogen productionAvijita Jain, Sheri Lense, John C Linehan, et al.
Chemical Communications (Cambridge, England)|October 9, 2012
Distant protonated pyridine groups in water-soluble iron porphyrin electrocatalysts promote selective oxygen reduction to waterBenjamin D Matson, Colin T Carver, Amber Von Ruden, et al.
Pageof 11