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Showing 10 out of a total of 50 results. (0.006 seconds)

Now showing items 31-40 of 50

Squaramido-Based Receptors : Applicability of Molecular Interaction Potential to Molecular Recognition of Polyalkylammonium Compounds

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Tomàs, Salvador; Suñer, Guillem A.; Morey Salvà, Jeroni; Costa Torres, Antonio; Ballester Balaguer, Pablo José; 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
Squaramide as a binding unit in molecular recognition

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Suñer, Guillem A.; Morey Salvà, Jeroni; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Counterintuitive affinity of [2.2]paracyclophane to cations

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Pichierri, Fabio
Theoretical and Crystallographic Study of edge-to-face aromatic interactions between pyridine moieties and benzene

Escudero, Daniel; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Quadrupole Moment versus Molecular Electrostatic Potential: strange behaviour of ethynyl-substituted benzenes

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria; Alkorta, Ibon; Elguero, José
Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes

Estarellas Martín, Carolina; Lucas, Xavier; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
s-Tetrazine as a New Binding Unit in Molecular Recognition of Anions

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

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