The Resolution of Identity (RI) technique has been employed to speed up the use of hybrid exchange-correlation (xc) functionals at the TDDFT level using the Hybrid Diagonal Approximation. The RI has b...
Title: Collisional excitation of PO + by para-H2: potential energy surface, scattering calculations, and astrophysical ...
Title: Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy Authors: P Pinacho, D Loru, T Šumanovac, M Šekutor, ... ...
Title: Cyclohexane Oxidative Dehydrogenation on Graphene-Oxide-Supported Cobalt Ferrite Nanohybrids: Effect of Dynamic Nature of Active Sites on Reaction Selectivity Authors: ...
Title:Cyclohexane Oxidative Dehydrogenation on Graphene-Oxide-Supported Cobalt Ferrite Nanohybrids: Effect of Dynamic Nature of Active Sites on Reaction Selectivity Authors: S. ...
Title: Cover Profile: Stability and Reversible Oxidation of Sub-Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling Authors: ...
Title: Front Cover: Stability and Reversible Oxidation of Sub-Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling Authors: ...
Title: Communication of molecular fluorophores with other photoluminescence centres in carbon dots Authors: Michal Langer, Lukáš Zdražil, Miroslav Medveď and ...
Title: Coordination effects on the binding of late 3d single metal species to cyanographene Authors: Róbert Prucha, Vítězslav Hrubý, Dagmar ...
Title: On the 12 C 2 H 2 near-infrared spectrum: absolute transition frequencies and an improved ...
