Confining CO2 inside sI clathrate‐hydrates: The impact of the CO2–water interaction on quantized dynamics
Title: Confining CO2 inside sI clathrate‐hydrates: The impact of the CO2–water interaction on quantized dynamics Authors: Á Valdés, A Cabrera‐Ramírez, ...
Computational Protocol for the Identification of Candidates for Radioastronomical Detection and Its Application to the C3H3NO Family of Isomers
Title: Computational Protocol for the Identification of Candidates for Radioastronomical Detection and Its Application to the C3H3NO Family of Isomers ...
Porous Semiconductor Compounds with Engineered Morphology as a Platform for Various Applications
Title: Porous Semiconductor Compounds with Engineered Morphology as a Platform for Various Applications Authors: EV Monaico, EI Monaico, VV Ursaki, ...
Stability and properties of new-generation metal and metal-oxide clusters
Stability and properties of new-generation metal and metal-oxide clusters down to subnanometer scale Authors: María Pilar de Lara-Castells, ...
Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes
Title: Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes Authors: Enrique ...
Diamondoid ether clusters in helium nanodroplets
Title: Diamondoid ether clusters in helium nanodropletsDOI: https://doi.org/10.1039/D3CP00489A Working Group: WG2, WG4, WG5 Grant Period: 1-10-2022 to 31-10-2023 Grant Period ...
