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Synthesis, X-Ray structure analysis and computational studies of novel Bis(thiocarbamoyl) Disulfides with non-covalent S···N and S···S interactions

Saczewski, Jaroslaw; Frontera Beccaria, Antonio; Gdaniec, Maria; Brzozowski, Zdzislaw; Saczewski, Franciszek; Tabin, Piotr; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Is the use of diffuse functions essential for the properly description of noncovalent interactions involving anions?

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Approximate Additivity of Anion-pi Interactions: An Ab Initio Study on anion-pi, anion-pi2 and anion-pi3

Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Affinity of ferrocene and (1,1')(3,3')[3,3]ferrocenophane to cations

Frontera Beccaria, Antonio; Quiñonero Santiago,; Garau Rosselló, Carolina; Deyà Serra, Pere Maria; Pichierri, Fabio
Simultaneous interaction of tetrafluoroethene with anions and hydrogen-bond donors: a cooperativity study

Alkorta, Ibon; Blanco, Fernando; Elguero, José; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Ab Initio Investigations of Lithium Insertion in Boron and Nitrogen-Doped Single-Walled Carbon Nanotubes

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Theoretical ab initio study of the interplay between hydrogen bonding, cation-pi and pi-pi interactions

Estarellas Martín, Carolina; Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria

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