@article{cbf69946ca45444a96a54dd8935d2734,
title = "From Neutral Aniline to Aniline Trication: A Computational and Experimental Study",
keywords = "aniline, cation, dication, trication, mass-spectrometry, fragmentation",
author = "Gutsev, \{Gennady L.\} and Tibbetts, \{Katherine M.\} and \{Lopez Pena\}, \{H. A.\} and McPherson, \{S. L.\} and Boateng, \{D. Ampadu\} and Ramachandran, \{B. R.\} and Gutsev, \{Lavrenty G.\}",
note = "We report density functional theory computations and photoionization mass spectrometry measurements of aniline and its positively charged ions. The geometrical structures and properties of the neutral, singly, doubly, and triply positively charged aniline are computed using density functional theory with the generalized gradient approximation. At each charge, there are multiple isomers closely spaced in total energy.",
year = "2020",
month = mar,
day = "30",
doi = "10.1021/acs.jpca.0c00686",
language = "American English",
journal = "Journal of Physical Chemistry C",
}