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Predicting Experimental Complexation-Induced Changes in 1H-NMR Chemical Shifts for Complexes between metalloPorphyrins and ligands Using the ab-Initio/Giao-HF Methodology
Gomila Ribas, Rosa María
;
Quiñonero Santiago, David
;
Garau Rosselló, Carolina
;
Frontera Beccaria, Antonio
;
Ballester Balaguer, Pablo José
;
Costa Torres, Antonio
;
Deyà Serra, Pere Maria a
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
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
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
A Theoretical Study of Aromaticity in Squaramide and Oxocarbons
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Ballester Balaguer, Pablo José
;
Deyà Serra, Pere Maria
The Resonance Model in Amides: A Combined Crystallographic and ab initio Investigation
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Capó Cañellas, Magdalena
;
Ballester Balaguer, Pablo José
;
Suñer, Guillem A.
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Garau Rosselló, Carolina
;
Deyà Serra, Pere M.
Unexpected nonadditivity effects in anion-pi complexes
Estarellas Martín, Carolina
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Deyà Serra, Pere Maria
RI-MP2 and MPWB1K Study of pi-Anion-pi' Complexes: MPWB1K Performance and Some Additivity Aspects
Garau Rosselló, Carolina
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Russo, Nino
;
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
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
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Frontera Beccaria, Antonio (51)
Quiñonero Santiago, David (51)
Deyà Serra, Pere Maria (41)
Ballester Balaguer, Pablo José (26)
Costa Torres, Antonio (22)
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54 - Chemistry. Crystallography. Mineralogy (51)
54 - Química (51)
Molecular Recognition (2)
Ab initio calculations (1)
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