P. Achord

Highly Effective Pincer-Ligated Iridium Catalysts for Alkane Dehydrogenation. DFT Calculations of Relevant Thermodynamic, Kinetic, and Spectroscopic Properties

Keming Zhu, P. Achord, Xiawei Zhang et al. · Journal of the American Chemical Society · 2004 · 257 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Combined Computational and Experimental Study of Substituent Effects on the Thermodynamics of H₂, CO, Arene, and Alkane Addition to Iridium

Karsten Krogh‐Jespersen, Margaret Czerw, Keming Zhu et al. · Journal of the American Chemical Society · 2002 · 134 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C−C Reductive Elimination Inhibited by Steric Crowding

Rajshekhar Ghosh, Xiawei Zhang, P. Achord et al. · Journal of the American Chemical Society · 2007 · 131 citations

Natural Sciences, Chemistry, Computational Chemistry +13

On the Mechanism of (PCP)Ir-Catalyzed Acceptorless Dehydrogenation of Alkanes:  A Combined Computational and Experimental Study

Karsten Krogh‐Jespersen, Margaret Czerw, Nadine Summa et al. · Journal of the American Chemical Society · 2002 · 120 citations

Natural Sciences, Chemistry, Catalysis +13

Calculation of thermodynamic hydricities and the design of hydride donors for CO ₂ reduction

James T. Muckerman, P. Achord, Carol Creutz et al. · Proceedings of the National Academy of Sciences · 2012 · 75 citations · Full text

Natural Sciences, Chemistry, Inorganic Chemistry +8