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Internal rotation in squaramide and related compounds. A theoretical ab initio study
Deyà Serra, Pere Maria
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Frontera Beccaria, Antonio
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Suñer, Guillem A.
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Quiñonero Santiago, David
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Garau Rosselló, Carolina
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Costa Torres, Antonio
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Ballester Balaguer, Pablo José
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
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Quiñonero Santiago, David
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Garau Rosselló, Carolina
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Frontera Beccaria, Antonio
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Ballester Balaguer, Pablo José
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Costa Torres, Antonio
;
Deyà Serra, Pere Maria a
Syntheses, crystal structures and density functional theoretical investigations of copper(II) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline
Bhaumik, P. K.
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Bauza Riera, Antonio
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Frontera Beccaria, Antonio
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Chattopadhyay, Shouvik
The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions
Bauzá Riera, Antonio
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Frontera Beccaria, Antonio
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Mooibroek,Tiddo J.
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Reedijk, Jan
Squaramido-Based Receptors : Applicability of Molecular Interaction Potential to Molecular Recognition of Polyalkylammonium Compounds
Quiñonero Santiago, David
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Frontera Beccaria, Antonio
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Tomàs, Salvador
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Suñer, Guillem A.
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Morey Salvà, Jeroni
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Costa Torres, Antonio
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Ballester Balaguer, Pablo José
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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
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Frontera Beccaria, Antonio
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Ballester Balaguer, Pablo José
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Deyà Serra, Pere Maria
Squaramide as a binding unit in molecular recognition
Quiñonero Santiago, David
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Frontera Beccaria, Antonio
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Suñer, Guillem A.
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Morey Salvà, Jeroni
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Costa Torres, Antonio
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Ballester Balaguer, Pablo José
;
Deyà Serra, Pere Maria
A New Family of Ni4 and Ni6 Aggregates from Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges
Pait, Moumita
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Bauzá Riera, Antonio
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Frontera Beccaria, Antonio
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Colacio, Enrique
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Ray, Debashis
Experimental observation and theoretical investigation on a novel Cd(II) complex with π-hole interaction involving nitro groups
Roy, Ssubhadip
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Bauzá Riera, Antonio
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Frontera Beccaria, Antonio
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Banik, Rupak
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Purkayastha, Atanu
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Drew, Michael G. B.
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Reddy, Benjaram M.
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Sridhar, Balasubramanian
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Das, Saroj Kr.
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Das, Subrata
Synthesis, Structure and Binding Properties of Lipophilic Cavitands based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold
Galan, Albano
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Escudero-Adán, Eduardo C.
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Frontera Beccaria, Antonio
;
Ballester Balaguer, Pablo José
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Frontera Beccaria, Antonio (133)
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DFT calculations (3)
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