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Authors:
Krogh-Jespersen, K
Czerw, M
Kanzelberger, M
Goldman, AS
Citation: K. Krogh-jespersen et al., DFT/ECP study of C-H activation by (PCP)Ir and (PCP)Ir(H)(2) (PCP = eta(3)-1,3-C6H3(CH2PR2)(2)). Enthalpies and free energies of associative and dissociative pathways, J CHEM INF, 41(1), 2001, pp. 56-63
Authors:
Czerw, M
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Krogh-Jespersen, K
Citation: M. Czerw et al., Oxidative addition of dihydrogen to M(PH3)(2)Cl, M = Rh and Ir: A computational study using DFT and MO methods, COMPUTATIONAL ORGANOMETALLIC CHEMISTRY, 2001, pp. 323-344
Citation: La. Burke et K. Krogh-jespersen, Alternating planarity/nonplanarity in n-doped odd-membered, all-trans polyenes: Molecular structures of NaCnHn+2 (n=3, 5, 7, and 9), J MOL MODEL, 6(2), 2000, pp. 248-256
Authors:
Kanzelberger, M
Singh, B
Czerw, M
Krogh-Jespersen, K
Goldman, AS
Citation: M. Kanzelberger et al., Addition of C-H bonds to the catalytically active complex (PCP)Ir (PCP = eta(3)-2,6-((Bu2PCH2)-Bu-t)(2)C6H3), J AM CHEM S, 122(44), 2000, pp. 11017-11018
Authors:
Knapp, S
Huang, BW
Emge, TJ
Sheng, S
Krogh-Jespersen, K
Potenza, JA
Schugar, HJ
Citation: S. Knapp et al., A pyropheophorbide dimer with single pyrrole pi overlap and a low-energy Qabsorption, J AM CHEM S, 121(34), 1999, pp. 7977-7978
Citation: K. Krogh-jespersen et al., Ab initio electronic structure calculations on chlorocarbene-ethylene and chlorocarbene-benzene complexes, J AM CHEM S, 121(26), 1999, pp. 6269-6274