Paradigms and paradoxes: analysis of the site of protonation of bifunctional organic compounds with the protonation energy/volume computation method
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[1] Yu. E. Zevatskii,et al. Dependence of the protonation constants of organic compounds on their molecular volume , 2007 .
[2] L. Curtiss,et al. Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies. , 2005, The Journal of chemical physics.
[3] D. York,et al. Benchmark calculations of proton affinities and gas-phase basicities of molecules important in the study of biological phosphoryl transfer. , 2005, Physical chemistry chemical physics : PCCP.
[4] C. Rowley,et al. A ‘universal’ B3LYP-based method for gas-phase molecular properties: bond dissociation enthalpy, ionization potential, electron and proton affinity and gas-phase acidity , 2005 .
[5] G. Scuseria,et al. Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes , 2003 .
[6] T. D. Fridgen,et al. Gas-phase acidities and sites of deprotonation of 2-ketones and structures of the corresponding enolates , 2003 .
[7] M. Meot-ner. The proton affinity scale, and effects of ion structure and solvation , 2003 .
[8] C. Deakyne. Proton Affinities and Gas-Phase Basicities: Theoretical Methods and Structural Effects , 2003 .
[9] R. Flammang,et al. Thermochemistry and unimolecular reactivity of protonated α,ω-aminoalcohols in the gas phase , 2002 .
[10] Jan M. L. Martin,et al. Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities , 2001, physics/0101072.
[11] A. Bagno. Acyl group vs nitrogen protonation of carboxylic and non‐carboxylic amides in the gas phase and water , 2000 .
[12] E. P. Hunter,et al. Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update , 1998 .
[13] Joel F. Liebman,et al. Evaluated Gas Phase Basicities and Proton Affinities of Molecules; Heats of Formation of Protonated Molecules , 1984 .
[14] R. C. Weast. CRC Handbook of Chemistry and Physics , 1973 .