Highly Effective Pincer-Ligated Iridium Catalysts for Alkane Dehydrogenation. DFT Calculations of Relevant Thermodynamic, Kinetic, and Spectroscopic Properties
Zhu, Keming, Achord, Patrick D, Zhang, Xiawei, Krogh-Jespersen, Karsten, Goldman, Alan S
Published in Journal of the American Chemical Society (13.10.2004)
Published in Journal of the American Chemical Society (13.10.2004)
Get full text
Journal Article
Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C−C Reductive Elimination Inhibited by Steric Crowding
Ghosh, Rajshekhar, Zhang, Xiawei, Achord, Patrick, Emge, Thomas J, Krogh-Jespersen, Karsten, Goldman, Alan S
Published in Journal of the American Chemical Society (31.01.2007)
Published in Journal of the American Chemical Society (31.01.2007)
Get full text
Journal Article
Combined Computational and Experimental Study of Substituent Effects on the Thermodynamics of H2, CO, Arene, and Alkane Addition to Iridium
Krogh-Jespersen, Karsten, Czerw, Margaret, Zhu, Keming, Singh, Bharat, Kanzelberger, Mira, Darji, Nitesh, Achord, Patrick D, Renkema, Kenton B, Goldman, Alan S
Published in Journal of the American Chemical Society (11.09.2002)
Published in Journal of the American Chemical Society (11.09.2002)
Get full text
Journal Article
On the Mechanism of (PCP)Ir-Catalyzed Acceptorless Dehydrogenation of Alkanes: A Combined Computational and Experimental Study
Krogh-Jespersen, Karsten, Czerw, Margaret, Summa, Nadine, Renkema, Kenton B, Achord, Patrick D, Goldman, Alan S
Published in Journal of the American Chemical Society (25.09.2002)
Published in Journal of the American Chemical Society (25.09.2002)
Get full text
Journal Article
Theoretical Structure–Reactivity Study of Ethylene Insertion into Nickel–Alkyl Bonds. A Kinetically Significant and Unanticipated Role of trans Influence in Determining Agostic Bond Strengths
Hasanayn, Faraj, Achord, Patrick, Braunstein, Pierre, Magnier, Hamza Javar, Krogh-Jespersen, Karsten, Goldman, Alan S
Published in Organometallics (09.07.2012)
Published in Organometallics (09.07.2012)
Get full text
Journal Article
Steric effect for proton, hydrogen-atom, and hydride transfer reactions with geometric isomers of NADH-model ruthenium complexes
Cohen, Brian W, Polyansky, Dmitry E, Achord, Patrick, Cabelli, Diane, Muckerman, James T, Tanaka, Koji, Thummel, Randolph P, Zong, Ruifa, Fujita, Etsuko
Published in Faraday discussions (2012)
Published in Faraday discussions (2012)
Get full text
Journal Article
Forced degradation studies of rapamycin: Identification of autoxidation products
Oyler, Alan R., Segmuller, Brigitte E., Sun, Yanqiu, Polshyna, Ann, Dunphy, Richard, Armstrong, Barbara L., Achord, Patrick, Maryanoff, Cynthia A., Alquier, Lori, Il’ichev, Yuri V.
Published in Journal of pharmaceutical and biomedical analysis (05.02.2012)
Published in Journal of pharmaceutical and biomedical analysis (05.02.2012)
Get full text
Journal Article
Steric effect for proton, hydrogen-atom, and hydride transfer reactions with geometric isomers of NADHmodel ruthenium complexesElectronic supplementary information (ESI) available: Cyclic voltammogram of [Ru(2)]2+; calculated spectrum, assignment of absorption bands and the frontier orbitals of [Ru(2)]2+; plot of observed rate constants for quenching the excited state of [Ru(2)]2+ by DABCO; UV-vis-NIR absorption spectra of reduction of [Ru(2)]2+ by Na/Hg, UV-vis-NIR spectra of photochemical form
Cohen, Brian W, Polyansky, Dmitry E, Achord, Patrick, Cabelli, Diane, Muckerman, James T, Tanaka, Koji, Thummel, Randolph P, Zong, Ruifa, Fujita, Etsuko
Year of Publication 06.01.2012
Year of Publication 06.01.2012
Get full text
Journal Article
Experimental and Computational Studies of Binding of Dinitrogen, Nitriles, Azides, Diazoalkanes, Pyridine, and Pyrazines to M(PR3)2(CO)3 (M = Mo, W; R = Me, iPr)
Achord, Patrick, Fujita, Etsuko, Muckerman, James T., Scott, Brian, Fortman, George C., Temprado, Manuel, Cai, Xiaochen, Captain, Burjor, Isrow, Derek, Weir, John J., McDonough, James Eric, Hoff, Carl D.
Published in Inorganic chemistry (17.08.2009)
Published in Inorganic chemistry (17.08.2009)
Get full text
Journal Article
Study of bite angle effects in hydroformylation
Achord, Patrick D., Kiprof, Paul, Barker, Beau
Published in Journal of molecular structure. Theochem (01.01.2008)
Published in Journal of molecular structure. Theochem (01.01.2008)
Get full text
Journal Article
Combined computational and experimental study of substituent effects on the thermodynamics of H(2), CO, arene, and alkane addition to iridium
Krogh-Jespersen, Karsten, Czerw, Margaret, Zhu, Keming, Singh, Bharat, Kanzelberger, Mira, Darji, Nitesh, Achord, Patrick D, Renkema, Kenton B, Goldman, Alan S
Published in Journal of the American Chemical Society (11.09.2002)
Get full text
Published in Journal of the American Chemical Society (11.09.2002)
Journal Article
Combined Computational and Experimental Study of Substituent Effects on the Thermodynamics of H 2 , CO, Arene, and Alkane Addition to Iridium
Krogh-Jespersen, Karsten, Czerw, Margaret, Zhu, Keming, Singh, Bharat, Kanzelberger, Mira, Darji, Nitesh, Achord, Patrick D., Renkema, Kenton B., Goldman, Alan S.
Published in Journal of the American Chemical Society (01.09.2002)
Published in Journal of the American Chemical Society (01.09.2002)
Get full text
Journal Article
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)
Achord, Patrick, Fujita, Etsuko, Muckerman, James T, Scott, Brian, Fortman, George C, Temprado, Manuel, Cai, Xiaochen, Captain, Burjor, Isrow, Derek, Weir, John J, McDonough, James Eric, Hoff, Carl D
Published in Inorganic chemistry (17.08.2009)
Published in Inorganic chemistry (17.08.2009)
Get full text
Journal Article
Dative stabilization of carbocations
Kiprof, Paul, Miller, Stephen R., Achord, Patrick
Published in Journal of molecular structure. Theochem (28.02.2009)
Published in Journal of molecular structure. Theochem (28.02.2009)
Get full text
Journal Article