Experimental and theoretical data for article Negative Cluster Ions of Hydrated Polycyclic Aromatic Hydrocarbons: Evidence for "Magic" Water Tetramer

Narodni Repozitar 2026 Dataset Open access

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Authors: Jozef Ďurana, Barbora Kocábková, Andriy Pysanenko, Eva Pluhařová, Juraj Fedor, Michal Fárnı́k
DOI: 10.48700/datst.bn6fw-ypj06
Cited by: 0

Abstract

Uploaded files contain negative and positive ion mass spectra of hydrated clusters of naphthalene, cyanonaphthalene, phenanthrene and anthracene; and optimized geometries of mixed naphthalene-water clusters (1-2 Np, 0-9 W) appearing in the article and its supplementary information. The ab-initio calculations complement the experimental data and help further interpretation of the mass spectra.

Fields of Study & Subjects

Mass Spectrometry Techniques and Applications Spectroscopy and Quantum Chemical Studies Chemical and Physical Studies

Publication details

Journal / source
Narodni Repozitar
Publication date
15 January 2026
Language
EN
Document type
Dataset