The proton is the smallest and the lightest atomic nucleus and is the most abundant in the
universe. Notwithstanding its minute size, it plays gargantuan roles in chemistry …

The ground and low-lying states of Cu2+− H2O have been studied using different density
functional and post-Hartree− Fock methods. CCSD (T) results indicate that Cu2+− H2O has …

The structures and relative stabilities of the complexes between Cu2+ and uracil, 2‐
thiouracil, 4‐thiouracil, and 2, 4‐dithiouracil were investigated by B3LYP/6‐311+ G (2df …

The gas‐phase reactions between Ca2+ and glycine ([Ca (gly)] 2+) have been investigated
through the use of mass spectrometry techniques and B3‐LYP/cc‐pWCVTZ density …

The stability against collisional dissociation of [uracil–Ca] 2+ complexes has been
investigated by combining nanoelectrospray ionization/mass spectrometry techniques and …

The gas-phase reactions between urea and Ca2+ have been investigated by means of
electrospray mass spectrometry techniques. The MS/MS spectra of [Ca (urea)] 2+ and [Ca …

The structures and relative stabilities of the complexes formed by uracil and its sulfur
derivatives, namely, 2-thio-, 4-thio, and 2, 4-dithio-uracil when interacting with Ca2+ in the …

Different analysis of the electron density, namely AIM, ELF and NBO, yield coherent
descriptions of the bonding in [urea-M] 2+ and [thiourea-M] 2+(M= Mg, Ca, Cu) complexes …

An experimental study has been undertaken of the ability of small numbers of either
ammonia or methanol molecules (XH) to form stable solvated complexes with each of nine …

We report thermodynamic, geometric, and electronic parameters for the interaction between
neutral ligands and the [Hg (H 2 O)] 2+ dication, using the B3LYP/6–311+ G (d, p) approach …