Nitrogen bases containing one or more pushing amino-group (s) directly linked to a pulling
cyano, imino, or phosphoimino group, as well as those in which the pushing and pulling …

We report on separations of ion isotopologues and isotopomers using ultrahigh-resolution
traveling wave-based Structures for Lossless Ion Manipulations with serpentine ultralong …

The present article is the third part of a general overview of the gas‐phase protonation
thermochemistry of polyfunctional molecules (first part: Mass Spectrom. Rev., 2007, 26: 775 …

The relative energies of the YMPJ conformer database of the 20 proteinogenic amino acids,
with N-and C-termination, have been re-evaluated using explicitly correlated coupled cluster …

In this work, we introduce TorsiFlex, a user-friendly software written in Python 3 and
designed to find all the torsional conformers of flexible acyclic molecules in an automatic …

In order to describe possible reaction mechanisms involving amino acids, and the evolution
of the protonation state of amino acid side chains in solution, a reactive force field (ReaxFF …

The intermolecular dihydrogen bonding in the electronically excited states of the dihydrogen-
bonded phenol-BTMA complex in gas phase was theoretically investigated using the time …

The structures of cationized arginine complexes [Arg+ M]+,(M= H, Li, Na, K, Rb, Cs, and Ag)
and protonated arginine methyl ester [ArgOMe+ H]+ have been investigated in the gas …

The structures of isolated alkaline earth metal cationized amino acids are investigated using
infrared multiple photon dissociation (IRMPD) spectroscopy and theory. These results …

A systematic computational study of the adsorption of 15 different amino acids (AA)(Gly, Ala,
Met, Phe, Ser, Thr, Cys, Tyr, Asn, Gln, Asp, Glu, His, Lys, and Arg) on a hydroxylated silica …