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Radical cation (C(·+)-pi) and radical anion (A(·-)-pi) interactions with aromatic rings: energetic, orbitalic and spin density considerations
Estarellas Martín, Carolina
;
Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Deyà Serra, Pere Maria
Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study
Garau Rosselló, Carolina
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Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
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Costa Torres, Antonio
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Ballester Balaguer, Pablo José
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Deyà Serra, Pere Maria
Quadrupole Moment versus Molecular Electrostatic Potential: strange behaviour of ethynyl-substituted benzenes
Bauzá Riera, Antonio
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Quiñonero Santiago, David
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Deyà Serra, Pere Maria
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Frontera Beccaria, Antonio
OPLS All-Atom Force Field for Squaramides and Squaric Acid
Quiñonero Santiago, David
;
Tomàs, Salvador
;
Frontera Beccaria, Antonio
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Ballester Balaguer, Pablo José
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Garau Rosselló, Carolina
;
Costa Torres, Antonio
;
Deyà Serra, Pere Maria
A Theoretical Study of Aromaticity in Squaramide and Oxocarbons
Quiñonero Santiago, David
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Frontera Beccaria, Antonio
;
Ballester Balaguer, Pablo José
;
Deyà Serra, Pere Maria
Anion-pi interactions in bisadenine derivatives: a combined crystallographic and theoretical study.
García-Raso, Ángel
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Albertí Aguiló, Francisca M.
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Fiol Arbós, Juan Jesús
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Tasada Lozano, Andrés
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Barceló Oliver, Miquel
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Molins, Elies
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Escudero, Daniel
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Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Deyà Serra, Pere Maria
Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework
Govor, Evgen V.
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Lysenko, Andrey B.
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Quiñonero Santiago, David
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Rusanov, Edward B.
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Chernega, Alexander N.
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Moellmer, Jens
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Staudt, Reiner
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Krautscheid, Harald
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Frontera Beccaria, Antonio
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Domasevitch, Konstantin V.
Halogen bonding versus chalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study
Bauzá Riera, Antonio
;
Quiñonero Santiago, David
;
Deyá Serra, Pere Maria
;
Frontera Beccaria, Antonio
Squaramido-Based Receptors : Applicability of Molecular Interaction Potential to Molecular Recognition of Polyalkylammonium Compounds
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
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
;
Deyà Serra, Pere Maria
Thermodynamic Characterization of Halide-pi Interactions in Solution using "Two-wall" Aryl extended Calix[4]pyrroles as Model System
Adriaenssens, Louis
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Gil-Ramírez, Guzmán
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Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Escudero-Adán, Eduardo C.
;
Ballester Balaguer, Pablo José
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Frontera Beccaria, Antonio (55)
Quiñonero Santiago, David (55)
Deyà Serra, Pere Maria (43)
Ballester Balaguer, Pablo José (26)
Costa Torres, Antonio (22)
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54 - Chemistry. Crystallography. Mineralogy (51)
54 - Química (51)
Chemistry (2)
Molecular Recognition (2)
Química (2)
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Date Issued
2015 (1)