Title: Acidic graphene organocatalyst for the superior transformation of wastes into high-added-value chemicals Authors: Aby Cheruvathoor Poulose, Miroslav Medveď, Vasudeva ...
Title: Speciation of Hexavalent Chromium in Aqueous Solutions Using a Magnetic Silica-Coated Amino-Modified Glycidyl Methacrylate Polymer Nanocomposite Authors: Suručić Ljiljana, ...
Title: Protonation of apolar species: From Cl2H+ to (E)-NCCHCHCNH+ through computational investigations Authors: Silvia Alessandrini, Luca Bizzocchi, Mattia Melosso, Cristina ...
DOI: 10.1021/acs.jpclett.2c03923 Working Group: WG3 Grant Period: 1st GP 2022-2023 Grant Period Goal (number): GPG2, GOG4 Covered deliverables from the ...
Title: Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks Authors: Vincenzo Barone, Silvia Di Grande, ...
Relaxation dynamics of 3He and 4He clusters and droplets studied using near infrared and visible fluorescence excitation spectroscopy ...
Dual-Site Model for Ab Initio Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five ...
Selective adsorption of sulphur dioxide and hydrogen sulphide by metal–organic frameworks Authors: Sonja Grubisic, Rahma Dahmani, Djordjevic Ivana, ...
MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water ...
Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5–Cu5)n (n < 3) cases Authors: Berta ...
