Title: Quantum computations in heavy noble-gas hydride cations: Reference energies and new spectroscopic data Authors: MJM de Oca-Estévez, R Prosmiti ...
Title: Hunting for interstellar molecules: rotational spectra of reactive species Authors: C Puzzarini, S Alessandrini, L Bizzocchi, ... DOI: https://pubs.rsc.org/en/content/articlehtml/2023/fd/d3fd00052d ...
Title: Optimal clustering for quantum refinement of biomolecular structures: Q| R# 4 Authors: Y Wang, H Kruse, NW Moriarty, MP ...
Title: Catalytic activity of 1D chains of gold oxide on a stepped gold surface from density functional theory Authors: ...
Title: States of Pt/CeO2 catalysts for CO oxidation below room temperature Authors: EM Slavinskaya, AI Stadnichenko, JEQ Domínguez, ... DOI: ...
Title: Structure and formation of copper cluster ions in multiply charged He nanodroplets Authors: OV Lushchikova, M Gatchell, J Reichegger, ...
Title: Secondary ionization of pyrimidine nucleobases and their microhydrated derivatives in helium nanodroplets Authors: JD Asmussen, AR Abid, A Sundaralingam, ...
Title: On the 12 C 2 H 2 near-infrared spectrum: absolute transition frequencies and an improved ...
Title: An ab initio study of the photodissociation of CH2I and CH2I+ Authors: A. Bouallagui, A. Zanchet, L. Bañares and A. García-Vela DOI: https://pubs.rsc.org/en/content/articlehtml/2023/cp/d3cp01460f ...
Title: Fine Tuning the Intermolecular Interactions of Water Clusters Using the Dispersion-Corrected Density Functional Theory Authors: A Ferretti, L Canal, ...
