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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
Internal rotation in squaramide and related compounds. A theoretical ab initio study
Deyà Serra, Pere Maria
;
Frontera Beccaria, Antonio
;
Suñer, Guillem A.
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Quiñonero Santiago, David
;
Garau Rosselló, Carolina
;
Costa Torres, Antonio
;
Ballester Balaguer, Pablo José
On the directionality of anion-pi interactions
Estarellas Martín, Carolina
;
Bauzá Riera, Antonio
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Deyà Serra, Pere Maria
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
Squaramide as a binding unit in molecular recognition
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Suñer, Guillem A.
;
Morey Salvà, Jeroni
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Costa Torres, Antonio
;
Ballester Balaguer, Pablo José
;
Deyà Serra, Pere Maria
Long range effects in anion-pi interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase
Bauzá Riera, Antonio
;
Quiñonero Santiago, David
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Deyà Serra, Pere Maria
;
Frontera Beccaria, Antonio
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
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Deyà Serra, Pere Maria (41)
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