The present article reviews the mass spectrometric fragmentation processes and
fragmentation energetics of leucine enkephalin, a commonly used peptide, which has been …

Abstract I. Introduction 196 II. Theoretical Models 197 A. Hartree‐Fock (HF) Theory 197 B.
Configuration Interaction (CI) 197 C. Perturbation Theory 198 D. Coupled Cluster Theory …

A novel Mannich base based compound namely 1-(4-ethylpiperazin-1-yl)(2-hydroxyphenyl)
methyl) naphthalene-2-ol (MNP) has been synthesized by a condensation reaction. MNP …

For the proton transfer reaction [MH]++ B→ M+[BH]+(I) a correlation is observed between the
experimental reaction rate kexp and the standard free energy variation ΔG°. This correlation …

Methyl formate, HCOOCH 3, is a well-known interstellar molecule prominent in the spectra of
hot molecular cores. The current view of its formation is that it occurs in the gas phase from …

The experimental and theoretical methods of determination of gas‐phase basicities, proton
affinities and protonation entropies are presented in a tutorial form. Particularities and …

The study investigates the molecular structure of 2, 2, 6, 6-tetramethylpiperidine-1-oxyl
(TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods …

In the present study, the mycosporine-like amino acids (MAAs) were isolated from the
marine red alga Gracilaria tenuistipitata and analysed by high-resolution accurate-mass …

Proton affinities (PAs) and basicities (GBs) of substituted benzamides in gas phase have
been calculated at the DFT/B3LYP level with a 6-311++ G (2df, 2p)//6-311+ G (d, p) basis …

The study investigated the impact of protonation and hydration on the geometry of nitroxide
radicals using B3LYP and M06‐2X methods. Results indicated that TEMPO exhibited the …