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Showing 10 out of a total of 60 results. (0.007 seconds)

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Estimating ring strain energies in small carbocycles by means of the Bader's theory of 'atoms-in-molecules'

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Theoretical ab initio study of anion-pi interactions in inorganic rings

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Long range effects in anion-pi interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Interplay between ion-pi and Ar/pi Van der Waals interactions

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Interplay between edge-to-face aromatic and hydrogen-bonding interactions

Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
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
On the directionality of anion-pi interactions

Estarellas Martín, Carolina; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria

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