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Can lone pair-pi and cation-pi interactions coexist? A theoretical study
Estarellas, Carolina
;
Frontera Beccaria, Antonio
;
Quiñonero, David
;
Deyà Serra, Pere Maria
(
De Gruyter Open/ Versita
,
2011
)
Molecular interaction potential with polarization (MIPp) study of the interplay between anion-pi and hydrogen bonding interactions.
Quiñonero, David
;
Escudero, Daniel
;
Frontera Beccaria, Antonio
;
Deyà Serra, Pere Maria
(
Bentham Science Publishers Ltd.
,
)
Self-assembly of [2]Rotaxane exploiting Reversible Pt(II)-Pyridine Coordinate Bonds
Ballester Balaguer, Pablo José
;
Capó, Magdalena
;
Costa Torres, Antonio
;
Deyà Serra, Pere Maria
;
Frontera Beccaria, Antonio
;
Gomila Ribas, Rosa Maria
(
MDPI
,
)
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
OPLS All-Atom Force Field for Squaramides and Squaric Acid
Quiñonero Santiago, David
;
Tomàs, Salvador
;
Frontera Beccaria, Antonio
;
Ballester Balaguer, Pablo José
;
Garau Rosselló, Carolina
;
Costa Torres, Antonio
;
Deyà Serra, Pere Maria
A Theoretical Study of Aromaticity in Squaramide and Oxocarbons
Quiñonero Santiago, David
;
Frontera Beccaria, 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
Weak CH/pi Interaction Participates in the Diastereoselectivity of a Host-Guest Complex in the Presence of Six Strong Hydrogen Bonds
Frontera Beccaria, Antonio
;
Garau Rosselló, Carolina
;
Quiñonero Santiago, David
;
Ballester Balaguer, Pablo José
;
Costa Torres, 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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