Publications by authors named "Patrick Achord"

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Calculation of thermodynamic hydricities and the design of hydride donors for CO2 reduction.
James T Muckerman, Patrick Achord, Carol Creutz, Dmitry E Polyansky, Etsuko Fujita

Proc Natl Acad Sci U S A· September 2012

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Steric effect for proton, hydrogen-atom, and hydride transfer reactions with geometric isomers of NADH-model ruthenium complexes.
Brian W Cohen, Dmitry E Polyansky, Patrick Achord, Diane Cabelli, James T Muckerman

Faraday Discuss· April 2012

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Forced degradation studies of rapamycin: identification of autoxidation products.
Alan R Oyler, Brigitte E Segmuller, Yanqiu Sun, Ann Polshyna, Richard Dunphy, Patrick Achord

J Pharm Biomed Anal· February 2012

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Experimental and computational studies of binding of dinitrogen, nitriles, azides, diazoalkanes, pyridine, and pyrazines to M(PR(3))(2)(CO)(3) (M = Mo, W; R = Me, (i)Pr).
Patrick Achord, Etsuko Fujita, James T Muckerman, Brian Scott, George C Fortman

Inorg Chem· August 2009

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Dimerization of alkynes promoted by a pincer-ligated iridium complex. C-C reductive elimination inhibited by steric crowding.
Rajshekhar Ghosh, Xiawei Zhang, Patrick Achord, Thomas J Emge, Karsten Krogh-Jespersen

J Am Chem Soc· January 2007

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Highly effective pincer-ligated iridium catalysts for alkane dehydrogenation. DFT calculations of relevant thermodynamic, kinetic, and spectroscopic properties.
Keming Zhu, Patrick D Achord, Xiawei Zhang, Karsten Krogh-Jespersen, Alan S Goldman

J Am Chem Soc· October 2004

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Combined computational and experimental study of substituent effects on the thermodynamics of H(2), CO, arene, and alkane addition to iridium.
Karsten Krogh-Jespersen, Margaret Czerw, Keming Zhu, Bharat Singh, Mira Kanzelberger, Patrick D Achord

J Am Chem Soc· September 2002

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On the mechanism of (PCP)Ir-catalyzed acceptorless dehydrogenation of alkanes: a combined computational and experimental study.
Karsten Krogh-Jespersen, Margaret Czerw, Nadine Summa, Kenton B Renkema, Patrick D Achord

J Am Chem Soc· September 2002

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