Publications of Xiangyue Liu
All genres
Journal Article (9)
Journal Article
, X. Liu and : Spectroscopic constants from atomic properties: a machine learning approach. Digital Discovery, in press.
Journal Article
X. Liu, and : The performance of CCSD(T) for the calculation of dipole moments in diatomics. Physical Chemistry Chemical Physics 25 (5), 4093–4104 (2023).
Journal Article
X. Liu, W. Wang, S. Wright, M. Doppelbauer, G. Meijer, S. Truppe and J. Pérez-Ríos: The chemistry of AlF and CaF production in buffer gas sources. The Journal of Chemical Physics 157 (7), 074305 (2022).
Journal Article
N. Walter, M. Doppelbauer, S. Marx, J. Seifert, X. Liu, J. Pérez-Ríos, , S. Truppe and G. Meijer: Spectroscopic characterization of the a3Π state of aluminum monofluoride. The Journal of Chemical Physics 156 (12), 124306 (2022).
Journal Article
W. Wang, X. Liu and J. Pérez-Ríos: Complex Reaction Network Thermodynamic and Kinetic Autoconstruction Based on Ab Initio Statistical Mechanics: A Case Study of O2 Activation on Ag4 Clusters. The Journal of Physical Chemistry A 125 (25), 5670–5680 (2021).
Journal Article
X. Liu, G. Meijer and J. Pérez-Ríos: On the relationship between spectroscopic constants of diatomic molecules: a machine learning approach. RSC Advances 11 (24), 14552–14561 (2021).
Journal Article
X. Liu, G. Meijer and J. Pérez-Ríos: A data-driven approach to determine dipole moments of diatomic molecules. Physical Chemistry Chemical Physics 22 (42), 24191–24200 (2020).
Journal Article
X. Liu, S. Truppe, G. Meijer and J. Pérez-Ríos: The diatomic molecular spectroscopy database. Journal of Cheminformatics 12 (1), 31 (2020).