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A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu3 adsorption on benzene/coronene Galería A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu3 adsorption on benzene/coronene Article A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu3 adsorption on benzene/coronenekasia2024-10-15T16:30:52+02:00Article|Read More
COST Action CA21101 CATCOSY 2024 Galería COST Action CA21101 CATCOSY 2024 Action COST, Events, News COST Action CA21101 CATCOSY 2024kasia2024-10-16T15:47:28+02:00Action COST, Events, News|Read More
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Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes Galería Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes Article Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenescosyes2024-03-23T13:27:37+01:00Article|Read More
Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5-Cu5) (n < 3) cases Galería Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5-Cu5) (n < 3) cases Article Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5-Cu5) (n < 3) casescosyes2024-03-23T17:48:20+01:00Article|Read More
María Pilar de Lara-Castells was elected Chair of the COST ACTION CA21101 Galería María Pilar de Lara-Castells was elected Chair of the COST ACTION CA21101 Action COST, Highlights María Pilar de Lara-Castells was elected Chair of the COST ACTION CA21101cosyes2024-08-01T18:15:53+02:00Action COST, Highlights|Read More
Full Control of the Chiral Overpass Effect in Helical Polymers: P/M Screw Sense Induction by Remote Chiral Centers After Bypassing the First Chiral Residue Galería Full Control of the Chiral Overpass Effect in Helical Polymers: P/M Screw Sense Induction by Remote Chiral Centers After Bypassing the First Chiral Residue Article Full Control of the Chiral Overpass Effect in Helical Polymers: P/M Screw Sense Induction by Remote Chiral Centers After Bypassing the First Chiral Residuecosyes2024-03-10T13:31:58+01:00Article|Read More
Aggregation and support effects in the oxidation of fluxional atomic metal clusters. The paradigmatic Cu5 case Galería Aggregation and support effects in the oxidation of fluxional atomic metal clusters. The paradigmatic Cu5 case Article Aggregation and support effects in the oxidation of fluxional atomic metal clusters. The paradigmatic Cu5 casecosyes2024-03-23T17:40:54+01:00Article|Read More
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