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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
Radical cation (C(·+)-pi) and radical anion (A(·-)-pi) interactions with aromatic rings: energetic, orbitalic and spin density considerations
Estarellas Martín, Carolina
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Deyà Serra, Pere Maria
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
Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study
Garau Rosselló, Carolina
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Costa Torres, Antonio
;
Ballester Balaguer, Pablo José
;
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
Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide.
Frontera Beccaria, Antonio
;
Orell, Maria
;
Garau Rosselló, Carolina
;
Quiñonero Santiago, David
;
Molins, Elies
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Mata, Ignasi
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Morey Salvà, Jeroni
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
Thermodynamic Characterization of Halide-pi Interactions in Solution using "Two-wall" Aryl extended Calix[4]pyrroles as Model System
Adriaenssens, Louis
;
Gil-Ramírez, Guzmán
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Escudero-Adán, Eduardo C.
;
Ballester Balaguer, Pablo 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
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Frontera Beccaria, Antonio (52)
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