Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt:  A Combined Density Functional and Experimental Study von McGuinness, David S., Cavell, Kingsley J., Yates, Brian F., Skelton, Brian W., White, Allan H.

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Kinetic and density functional studies on alkyl-carbene elimination from Pd(II) heterocylic carbene complexes: a new type of reductive elimination with clear implications for catal... von McGuinness, D S, Saendig, N, Yates, B F, Cavell, K J

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On the selective cleavage of nitrous oxide by metal-amide complexes von Cavigliasso, G, Criddle, A, Kim, H-S, Stranger, R, Yates, B F

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On the unprecedented level of dinitrogen activation in the calix[4]arene complex of Nb(III) von Terrett, R, Cavigliasso, G, Stranger, R, Yates, B F

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Basicity of Nucleophilic Carbenes in Aqueous and Nonaqueous SolventsTheoretical Predictions von Magill, Alison M, Cavell, Kingsley J, Yates, Brian F

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On the selective cleavage of nitrous oxide by metal-amide complexesElectronic supplementary information (ESI) available: Methodology details, structural diagrams, free energy calcu... von Cavigliasso, G, Criddle, A, Kim, H.-S, Stranger, R, Yates, B. F

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A theoretical approach to gas-phase ion chemistry von Radom, L., Bouma, W. J., Nobes, R. H., Yates, B. F.

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Detection of the prototype phosphonium (CH2PH3), sulfonium (CH2SH2) and chloronium (CH2ClH) ylides by neutralization-reionization mass spectrometry: a theoretical prediction von Yates, Brian F, Bouma, Willem J, Radom, Leo

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Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from Pd II Heterocylic Carbene Complexes:  A New Type of Reductive Elimination with Clear Implications for Catal... von McGuinness, David S., Saendig, Nadja, Yates, Brian F., Cavell, Kingsley J.

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Ylides and ylidions: a comparative study of unusual gas-phase structures von Yates, Brian F, Bouma, Willem J, Radom, Leo

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Distonic radical cations : Guidelines for the assessment of their stability von Yates, Brian F., Bouma, Willem J., Radom, Leo

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The syn rotational barrier in butane von Allinger, Norman L, Grev, Roger S, Yates, Brian F, Schaefer, Henry F

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The influence of N-substitution on the reductive elimination behaviour of hydrocarbyl-palladium-carbene complexes--a DFT study von Graham, David C, Cavell, Kingsley J, Yates, Brian F

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Intramolecular hydrogen migration in ionized amines: a theoretical study of the gas-phase analogues of the Hofmann-Löffler and related rearrangements von YATES, B. F, RADOM, L

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Ligand design for α1 adrenoceptor subtype selective antagonists von BREMNER, J. B, COBAN, B, GRIFFITH, R, GROENEWOUD, K. M, YATES, B. F

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Influence of geometry on reductive elimination of hydrocarbyl-palladium-carbene complexes von Graham, David C, Cavell, Kingsley J, Yates, Brian F

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The infrared spectrum of F-•H2O von YATES, B. F, SCHAEFER, H. F. III, LEE, T. J, RICE, J. E

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Nitrogen Activation via Three-Coordinate Molybdenum Complexes: Comparison of Density Functional Theory Performance with Wave Function Based Methods von Graham, David C, Beran, Gregory J. O, Head-Gordon, Martin, Christian, Gemma, Stranger, Robert, Yates, Brian F

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The dissociation mechanism of triplet formaldehyde von YATES, B. F, YAMAGUCHI, Y, SCHAEFER, H. F

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Experimental and computational study of a reductive elimination mechanism in a methyl–Pd( ii )–CNC carbene complex von Nielsen, David J., Magill, Alison M., Yates, Brian F., Cavell, Kingsley J., Skelton, Brian W., White, Allan H.

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