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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
Cooperativity in multiple unusual weak bonds
Alkorta, Ibon
;
Blanco, Fernando
;
Deyà Serra, Pere Maria
;
Elguero, José
;
Estarellas Martín, Carolina
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
Dual Cation and Anion Acceptor Molecules. The case of (η6-C6H6)(η6-C6F6)Cr(0) Complex
Alkorta, Ibon
;
Quiñonero Santiago, David
;
Garau Rosselló, Carolina
;
Frontera Beccaria, Antonio
;
Elguero, José
;
Deyà Serra, Pere Maria
A theoretical study of anion-pi interactions in seven-membered rings
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Escudero, Daniel
;
Ballester Balaguer, Pablo José
;
Costa Torres, Antonio
;
Deyà Serra, Pere Maria
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.
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Morey Salvà, Jeroni
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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
Synthesis, X-ray characterization and computational studies of Cu(II) complexes of N-pyrazolyl pyrimidine
Cañellas, Pablo
;
Bauzá Riera, Antonio
;
García-Raso, Ángel
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Fiol Arbós, Juan Jesús
;
Deyà Serra, Pere Maria
;
Molins, Elies
;
Mata, Ignasi
;
Frontera Beccaria, Antonio
A methodological analysis for the assessment of noncovalent pi interactions
Quiñonero Santiago, David
;
Estarellas Martín, Carolina
;
Frontera Beccaria, Antonio
;
Deyà Serra, Pere Maria
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Deyà Serra, Pere Maria (50)
Frontera Beccaria, Antonio (50)
Quiñonero Santiago, David (43)
Ballester Balaguer, Pablo José (25)
Costa Torres, Antonio (23)
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54 - Chemistry. Crystallography. Mineralogy (44)
54 - Química (44)
Molecular Recognition (3)
Ab initio calculations (2)
Noncovalent Interactions (2)
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