The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes
Raugei, Simone, Chen, Shentan, Ho, Ming-Hsun, Ginovska-Pangovska, Bojana, Rousseau, Roger J., Dupuis, Michel, DuBois, Daniel L., Bullock, R. Morris
Published in Chemistry : a European journal (21.05.2012)
Published in Chemistry : a European journal (21.05.2012)
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Journal Article
Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle
Mock, Michael T, Chen, Shentan, O’Hagan, Molly, Rousseau, Roger, Dougherty, William G, Kassel, W. Scott, Bullock, R. Morris
Published in Journal of the American Chemical Society (07.08.2013)
Published in Journal of the American Chemical Society (07.08.2013)
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Journal Article
Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2
Liu, Tianbiao, Chen, Shentan, O’Hagan, Molly J, Rakowski DuBois, Mary, Bullock, R. Morris, DuBois, Daniel L
Published in Journal of the American Chemical Society (11.04.2012)
Published in Journal of the American Chemical Society (11.04.2012)
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Journal Article
Protonation Studies of a Mono-Dinitrogen Complex of Chromium Supported by a 12-Membered Phosphorus Macrocycle Containing Pendant Amines
Mock, Michael T, Pierpont, Aaron W, Egbert, Jonathan D, O’Hagan, Molly, Chen, Shentan, Bullock, R. Morris, Dougherty, William G, Kassel, W. Scott, Rousseau, Roger
Published in Inorganic chemistry (18.05.2015)
Published in Inorganic chemistry (18.05.2015)
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Journal Article
A rare terminal dinitrogen complex of chromium
Mock, Michael T, Chen, Shentan, Rousseau, Roger, O'Hagan, Molly J, Dougherty, William G, Kassel, W Scott, DuBois, Daniel L, Bullock, R Morris
Published in Chemical communications (Cambridge, England) (01.01.2011)
Published in Chemical communications (Cambridge, England) (01.01.2011)
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Journal Article
Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H 2
Liu, Tianbiao, Chen, Shentan, O’Hagan, Molly J., Rakowski DuBois, Mary, Bullock, R. Morris, DuBois, Daniel L.
Published in Journal of the American Chemical Society (11.04.2012)
Published in Journal of the American Chemical Society (11.04.2012)
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Journal Article
Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen
O’Hagan, Molly, Shaw, Wendy J, Raugei, Simone, Chen, Shentan, Yang, Jenny Y, Kilgore, Uriah J, DuBois, Daniel L, Bullock, R. Morris
Published in Journal of the American Chemical Society (14.09.2011)
Published in Journal of the American Chemical Society (14.09.2011)
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Journal Article
Toward Molecular Catalysts by Computer
Raugei, Simone, DuBois, Daniel L., Rousseau, Roger, Chen, Shentan, Ho, Ming-Hsun, Bullock, R. Morris, Dupuis, Michel
Published in Accounts of chemical research (17.02.2015)
Published in Accounts of chemical research (17.02.2015)
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Journal Article
Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H2 Production and Oxidation
Chen, Shentan, Ho, Ming-Hsun, Bullock, R. Morris, DuBois, Daniel L, Dupuis, Michel, Rousseau, Roger, Raugei, Simone
Published in ACS catalysis (03.01.2014)
Published in ACS catalysis (03.01.2014)
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Journal Article
Homogeneous Ni Catalysts for H 2 Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree−Fock Correlated Wave-Function Theory
Chen, Shentan, Raugei, Simone, Rousseau, Roger, Dupuis, Michel, Bullock, R. Morris
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.12.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.12.2010)
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Journal Article
Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines
Yang, Jenny Y, Chen, Shentan, Dougherty, William G, Kassel, W Scott, Bullock, R Morris, DuBois, Daniel L, Raugei, Simone, Rousseau, Roger, Dupuis, Michel, Rakowski DuBois, M
Published in Chemical communications (Cambridge, England) (07.12.2010)
Published in Chemical communications (Cambridge, England) (07.12.2010)
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Journal Article
Homogeneous Ni Catalysts for H2 Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree−Fock Correlated Wave-Function Theory
Chen, Shentan, Raugei, Simone, Rousseau, Roger, Dupuis, Michel, Bullock, R. Morris
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.12.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.12.2010)
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Journal Article
Comment on “New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation”
Dupuis, Michel, Chen, Shentan, Raugei, Simone, DuBois, Daniel L, Bullock, R. Morris
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.05.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.05.2011)
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Journal Article
Stabilization of Nickel Complexes with Ni0···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands
Wiedner, Eric S, Yang, Jenny Y, Chen, Shentan, Raugei, Simone, Dougherty, William G, Kassel, W. Scott, Helm, Monte L, Bullock, R. Morris, Rakowski DuBois, M, DuBois, Daniel L
Published in Organometallics (09.01.2012)
Published in Organometallics (09.01.2012)
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Journal Article
Toward Molecular Catalysts by Computer
Raugei, Simone, DuBois, Daniel L., Rousseau, Roger J., Chen, Shentan, Ho, Ming-Hsun, Bullock, Ronald Morris, Dupuis, Michel
Published in Accounts of chemical research (09.01.2015)
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Published in Accounts of chemical research (09.01.2015)
Journal Article
Toward Molecular Catalysts by Computer
Raugei, Simone, DuBois, Daniel L., Rousseau, Roger, Chen, Shentan, Ho, Ming-Hsun, Bullock, R. Morris, Dupuis, Michel
Published in Accounts of chemical research (03.01.2015)
Published in Accounts of chemical research (03.01.2015)
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Journal Article
Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base
Lense, Sheri, Ho, Ming-Hsun, Chen, Shentan, Jain, Avijita, Raugei, Simone, Linehan, John C, Roberts, John A. S, Appel, Aaron M, Shaw, Wendy
Published in Organometallics (08.10.2012)
Published in Organometallics (08.10.2012)
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