Title: Fine Tuning the Intermolecular Interactions of Water Clusters Using the Dispersion-Corrected Density Functional Theory Authors: A Ferretti, L Canal, ...
Title: Quantum Computations in Heavy Noble-Gas Hydride Cations: Reference Energies and New Spectroscopic Data Authors: MJ Montes de Oca-Estévez, R ...
Title: Computational investigations of stable multiple-cage-occupancy He clathrate-like hydrostructures Authors: R Yanes-Rodríguez, R Prosmiti DOI: https://pubs.rsc.org/en/content/articlehtml/2023/cp/d3cp00603d Date: 2023-09-14 21:26:44 Working ...
Title: Imaging the photodissociation dynamics of internally excited ethyl radicals from high Rydberg states Authors: ...
Title: H2O-HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations Authors: P Vindel-Zandbergen, D ...
Title: Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schr" odinger equation" Authors: J Vaníček DOI: ...
Title: A COMPUTATIONAL INSIGHT ON AU-BASED NANOALLOYS Authors: MV Vanzan, S Zinzani, RM Jones, F Baletto DOI: https://www.mrs-mexico.org.mx/imrc2023/system/app_abstract-pdf.php?id_res=01144 Date: 2023-09-14 ...
Title: Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modules Authors: K Świderek, ...
Title: Decoding the infrared spectra changes upon formation of molecular complexes: the case of halogen bonding in pyridine⋯ perfluorohaloarene complexes ...
Title: OC2: Vanadium pentoxide nanoparticle films as a new platform for plasmon-free surface-enhanced Raman spectroscopy Authors: E Kočišová, A Kuzminova, ...
