Theoretical methods for vibrational spectroscopy and collision induced dissociation in the gas phase
MP Gaigeot, R Spezia - Gas-Phase IR Spectroscopy and Structure of …, 2015 - Springer
In this chapter we review recent advances in theoretical methods to understand and
rationalize anharmonic vibrational spectroscopy (IR-MPD and IR-PD) and collision induced …
rationalize anharmonic vibrational spectroscopy (IR-MPD and IR-PD) and collision induced …
Controlled synthesis of tantalum oxynitride and nitride nanoparticles
Synthesis of monodisperse metal nitride and oxynitride nanoparticles with a controllable
chemical composition, size, and a well‐defined morphology are useful for applications in …
chemical composition, size, and a well‐defined morphology are useful for applications in …
Thermochemistry, bonding, and reactivity of Ni+ and Ni2+ in the gas phase
In this review, we present a general overview on the studies carried out on Ni+‐‐and Ni2+‐
containing systems in the gas phase since 1996. We have focused our attention in the …
containing systems in the gas phase since 1996. We have focused our attention in the …
Protonated urea collision-induced dissociation. Comparison of experiments and chemical dynamics simulations
Quantum mechanical plus molecular mechanical direct chemical dynamics were used, with
electrospray tandem mass spectrometry experiments, potential energy surface calculations …
electrospray tandem mass spectrometry experiments, potential energy surface calculations …
Electron and ion spectroscopy of the cyclo-alanine–alanine dipeptide
J Chiarinelli, D Barreiro-Lage, P Bolognesi… - Physical Chemistry …, 2022 - pubs.rsc.org
The VUV photoionisation and photofragmentation of cyclo-alanine–alanine (cAA) has been
studied in a joint experimental and theoretical work. The photoelectron spectrum and the …
studied in a joint experimental and theoretical work. The photoelectron spectrum and the …
Experimental and computational study of the gas-phase interactions between lead (II) ions and two pyrimidic nucleobases: uracil and thymine
S Guillaumont, J Tortajada, JY Salpin… - International Journal of …, 2005 - Elsevier
The gas-phase reactivity of lead (II) ions towards uracil and thymine has been studied by
means of mass spectrometry and theoretical calculations. Positive-ion electrospray spectra …
means of mass spectrometry and theoretical calculations. Positive-ion electrospray spectra …
An Experimental and Theoretical Investigation of Gas‐Phase Reactions of Ca2+ with Glycine
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 …
through the use of mass spectrometry techniques and B3‐LYP/cc‐pWCVTZ density …
Unimolecular Reactivity of Uracil–Cu2+ Complexes in the Gas Phase
The gas‐phase interaction of copper (II) ions with uracil are studied by means of mass
spectrometry and B3LYP/6‐311+ G (2df, 2p)//B3LYP/6‐31G (d) calculations. Positive‐ion …
spectrometry and B3LYP/6‐311+ G (2df, 2p)//B3LYP/6‐31G (d) calculations. Positive‐ion …
Unimolecular reactivity upon collision of uracil–Ca2+ complexes in the gas phase: Comparison with uracil–M+ (M= H, alkali metals) and uracil–M2+ (M= Cu, Pb) …
The stability against collisional dissociation of [uracil–Ca] 2+ complexes has been
investigated by combining nanoelectrospray ionization/mass spectrometry techniques and …
investigated by combining nanoelectrospray ionization/mass spectrometry techniques and …
Experimental Investigation of the Complete Inner Shell Hydration Energies of Ca2+: Threshold Collision-Induced Dissociation of Ca2+(H2O)x Complexes (x = 2 …
DR Carl, PB Armentrout - The Journal of Physical Chemistry A, 2012 - ACS Publications
The sequential bond energies of Ca2+ (H2O) x complexes, where x= 1–8, are measured by
threshold collision-induced dissociation (TCID) in a guided ion beam tandem mass …
threshold collision-induced dissociation (TCID) in a guided ion beam tandem mass …