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Predicting experimental complexation-induced changes in 1H NMR chemical shift for complexes between Zinc-porphyrins and Amines using the ab inito GIAO-HF methodology

Gomila, Rosa María; Quiñonero Santiago, David; Rotger Pons, María del Carmen; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes

Bauza Riera, Antonio; Mooibroek, Tiddo J.; Frontera Beccaria, Antonio
Aerogen Bonding Interaction: A New Supramolecular Force?

Bauzá Riera, Antonio; Frontera Beccaria, Antonio
Anion-pi Interactions: Must the Aromatic Ring Be Electron Deficient?

Garau Rosselló, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere maria
Unveiling NO2···C=C π-hole interactions: A combined computational and crystallographic study

Frantera Beccaria, Antonio; Bauza Riera, Antonio
Rational Design, Synthesis and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media

Frontera Beccaria, Antonio; Morey Salvà, Jeroni; Oliver, A.; Piña Capó, María de la Nieves; Quinonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria; Anslyn, Eric V.
Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion-pi-Anion and Nonclassical C-H···Anion Interactions

Brooker, Sally; White, Nicholas G.; Bauzá Riera, Antonio; Deyà, Pere Maria; Frontera Beccaria, Antonio
Cooperativity effects between non-covalent interactions: are they important for Z-DNA stability?

Escudero, Daniel; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Ab initio calculations on Zinc Porphirins Complexec to Amines. Geometrical Details and NMR Chemical Shifts

Gomila Ribas, Rosa Maria; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
A Topological Analysis of Charge Density in Complexes between Derivatives of Squaric Acid and Ammonium Cation

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Garau Rosselló, Carolina; Costa Torres, Antonio; Deyà Serra, Pere Maria

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