This paper presents a comprehensive investigation of the adsorption of cytosine, a DNA base, on ZnO model clusters, specifically Zn2O2, Zn3O3, Zn4O4, Zn6O6, Zn8O8 ring (R) and cubic rocksalt. A densit...
Title: Rotational Excitation Cross Sections for Chloronium Based on a New 5D Interaction Potential with Molecular Hydrogen Authors: Sándor Demes, ...
Title: Adsorption of molecular hydrogen on extended graphene prototypes decorated with sodium: a quantum-mechanical study Authors: E. García-Arroyo, Massimiliano Bartolomei, ...
Title: MARVEL Analysis of High-Resolution Rovibrational Spectra of 16O13C18O Authors: A. A. A. Azzam, J. Tennyson, S. N. Yurchenko, T. ...
Deep eutectic solvents (DESs) have recently gained attention due to their tailorable properties and versatile applications in several fields, including green chemistry, pharmaceuticals, and energy sto...
Boron shows a variety of properties, determining a chemistry rich and complementary to that of carbon, the neighbor atom in the Periodic Table. In this work, we investigated the strength and nature of...
Title: Cover Feature: Support effects on conical intersections of Jahn–Teller fluxional metal clusters on the ...
In this comprehensive review, we explore interatomic and intermolecular correlated electronic decay phenomena observed in superfluid helium nanodroplets subjected to extreme ultraviolet radiation. Hel...
Title: A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application ...
Title: Cover Feature: An Ab Initio Journey toward the Molecular-Level Understanding and Predictability of Subnanometric Metal Clusters Authors: María Pilar ...
