"DFT/ECP Study of C-H Activation by (PCP)Ir and (PCP)Ir(H)2 (PCP = 3-1, ..."

Karsten Krogh-Jespersen et al. (2001)

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DOI: 10.1021/CI000061G

access: closed

type: Journal Article

metadata version: 2020-05-14

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Karsten Krogh-Jespersen, Margaret Czerw, Mira Kanzelberger, Alan S. Goldman:
DFT/ECP Study of C-H Activation by (PCP)Ir and (PCP)Ir(H)2 (PCP = 3-1, 3-C6H3(CH2PR2)2). Enthalpies and Free Energies of Associative and Dissociative Pathways. J. Chem. Inf. Comput. Sci. 41(1): 56-63 (2001)

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