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Primary and secondary kinetic isotope effects in proton (H+/D+) and chloronium ion (35Cl(+)/37Cl(+)) affinities
(John Wiley & Sons LtdW SussexInglaterra, 2001)
Hydrogen bonding and dissociation effects on the gas phase proton transfer reactions of ozone
(Springer New York LLC, 1998)
© Springer-Verlag 1998. Recently, the proton affinity (PA) of ozone was experimentally determined by Cacace and Speranza [Science (1994) 265: 208] using a bracketing technique that involved the proton transfer (PT) reactions: ...
Theoretical study of thermochemical properties using composite methods adapted to ONIOM
(Sociedade Brasileira de Química, 2012)
Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
(Royal Society of Chemistry, 2018-02)
Experimental and theoretical investigations of the excited states of protonated 1- and 2-aminonaphthalene are presented. The electronic spectra are obtained by laser induced photofragmentation of the ions captured in a ...
HSAB analysis of charge transfer in the gas-phase acid-base equilibria of alkyl-substituted alcohols
(American Chemical Society, 1999)
A simple model to analyze charge redistribution associated with proton transfer (PT) reaction is derived from a classical ion transport model. The model is applied to the gas-phase acid-base equilibria of alkyl alcohols. ...
Predicting Deprotonation Sites Using Alchemical Derivatives.
An alchemical transformation is any process, physical or fictitious, that connects two points in the chemical space. A particularly important transformation is the vanishing of a proton, whose energy can be linked to the ...
Structural characterization of clusters formed from alkyl nitriles and the methyl cation
(Amer Chemical SocWashingtonEUA, 2000)
Theoretical calculation of proton affinities using basis set functions defined by the generator coordinate method
(Amer Chemical SocWashingtonEUA, 1998)
Evaluation of proton and europium (III) binding reactions in a sewage sludge humic acidEvaluación de las reacciones de enlace protón y europio en un ácido húmico de cieno sanitario
(University of Puerto Rico Mayagüez Campus Agricultural Experiment Station, 1998)