Title: Functionalization of zeolite-encapsulated Cu5 clusters as visible-light photoactive subnanomaterials Authors: Katarzyna M. Krupka, Lenard L. Carroll and María ...
The present work deals with the computational study of HC3N··HCN··H2C2-, (HC3N)2··H2C2-, and HC3N··(H2C2)2-mixed trimers. The different equilibrium structures of the different low-lying minima on the...
Title: Unraveling the Role of Water in Isothermal Methanol Partial Oxidation to Methyl Formate on Gold: A Combined Experimental and ...
Title: Experimental and theoretical investigation of hydrogen bonded complexes between glycolic acid and water Authors: Krupa Justyna, Kosendiak Iwona, Wierzejewska ...
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...
