Rate constants for chemical reactions of laser-cooled Ca+ ions and neutral polar molecules
(⁠ CH 3 F⁠, CH 2 F 2⁠, or CH 3 Cl⁠) have been measured at low collision energies (⟨ E …

A general mechanism to rationalize RuIV‐catalyzed isomerization of the C C bond in O‐
allylic substrates is proposed. Calculations supporting the proposed mechanism were …

Reactions of methyl fluoride with bare alkaline-earth metal monocations (Mg+, Ca+, Sr+, and
Ba+) were studied using theoretical methods. Thermochemical data were calculated using …

CASSCF–MRMP2 calculations have been carried out to analyze the reactions of the methyl
fluoride molecule with the atomic ions Ge+, As+, Se+ and Sb+. For these interactions …

This thesis describes the study of a range of ion-molecule reactions at very low collision
energies using a newly developed experimental technique which involves the reaction of …

The reactions, in the gas phase, between alkali-earth monocations (Mg+, Ca+, Sr+, Ba+)
and CH3X (X= Cl, Br) have been theoretically studied. The stationary points on the potential …

Thermodynamics and kinetics theoretical studies on the gas-phase reactions of
fluoromethane with main fourth-period monocations (Ga+, Ge+, As+, and Se+) have been …

Variational transition-state theory rate constants with multidimensional tunneling
contributions using the small curvature method have been calculated for the CF3CHFCH2F …

We analyzed electronic factors affecting the mechanism of metal‐catalyzed C–H bond
alkylation by diazocarbene precursors. The analyses showed that e efficient metal …

Se ha llevado a cabo un estudio computacional para las reacciones del catión germanio
con clorometano y bromometano. El estudio se ha realizado dentro del contexto de la teoría …