A combination of linear infrared and Raman spectroscopy in supersonic slit jet expansions is
used to clarify the conformational preferences in the dimer of the transiently chiral benzyl …

In this work we present the extended two-dimensional torsion (E2DT) method and use it to
analyze the performance of several methods that incorporate torsional anharmonicity more …

Equilibrium configurations of trans-and cis-conformers of the HSSSH molecule (trisulfane),
as well as the vibrational spectra of both conformers, were calculated at the MP2/Aug-cc …

The advent of recent technological developments in software engineering has enabled the
exploration of reaction mechanisms inside intricate reaction networks, thereby propelling the …

Models for the quick estimation of energy splittings caused by coherent tunneling of
hydrogen atoms are evaluated with available experimental data for alcohols and …

Ortho-Halogenated benzyl alcohol can exist in two different low energy chiral conformations,
only one of them with an OH–X contact (X= Cl, Br, I). A third, achiral conformation is enabled …

The present paper deals with quantitative kinetics and thermodynamics of collision induced
dissociation (CID) reactions of piperazines under different experimental conditions together …

The rotational spectra of the single bondOH and single bondOD isotopologues of 3, 5-
difluorobenzyl alcohol have been measured by pulsed jet Fourier transform microwave …

The problematic that we consider in this paper treats the quantitative correlation model
equations between experimental kinetic and thermodynamic parameters of coupled …

The issue of this work focuses on development of quantitative model equations connecting
experimental mass spectrometric (MS) parameters, for instance, MS intensity, of analyte …