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On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-pi complexes
Escudero, D.
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Quiñonero, D.
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Frontera, A.
;
Deyà, P.M.
New 1,8-naphthyridine-based probes for the selective fluorescence signalling of toxic cadmium: synthesis, photophysical studies and molecular modelling
Mashraqui, S.H.
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Betkar, R.
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Chandiramani, M.
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Poonia, K.
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Quinonero, D.
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Frontera, A.
Interplay Between Anion-pi and Hydrogen Bonding Interactions
Escudero, D.
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Frontera, A.
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Quiñonero, D.
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Deyà, P.M.
Salt-bridge-pi (sb-pi) interactions at work: associative interactions of sb-pi, pi-pi and anion-pi in Cu(II)-malonate-2-aminopyridine-hexafluoridophosphate ternary system
Mitra, M.
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Manna, P.
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Seth, S.K.
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Das, A.
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Meredith, J.
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Helliwell, M.
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Bauza, A.
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Choudhury, S.R.
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Frontera, A.
;
Mukhopadhyay, Subrata
M(II)-malonate complexes (M = Mg, Cu, Ni and Co) characterized by layered structures: experimental observation, hirshfeld surface analysis and theoretical study
Mitra, M.
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Seth, S.K.
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Choudhury, S.R.
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Manna, P.
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Das, A.
;
Helliwell, M.
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Bauzá, A.
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Mukhopadhyay, S.
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Frontera, A.
Structural characterization, recognition patterns and theoretical calculations of long-chain N-alkyl substituted purine and pyrimidine bases as ligands: on the importance of anion-pi interactions
Fiol, J.J.
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Barceló-Oliver, M.
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Tasada, A.
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Frontera, A.
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Terrón, A.
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García-Raso, A.
Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species
Biswas, A.
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Drew, M.G.B.
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Diaz, C.
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Bauza, A.
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Frontera, A.
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Ghosh, A.
Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands
Tasada, A.
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Albertí, F.M.
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Bauzá, A.
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Barceló-Oliver, M.
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García-Raso, A.
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Fiol, J.J.
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Molins, E.
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Caubet, A.
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Frontera, A.
Anion-pi Interactions Involving [MXn]m- Anions: A Comprehensive Theoretical Study
Estarellas, C.
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Quiñonero, D.
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Deya, P.M.
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Frontera, A.
Reversible Switching of the Electronic Ground State in a Pentacoordinated Copper(II) Complex
Sasmal, A.
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Saha, S.
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Gomez Garcia, C.J.
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Desplanches, C.
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Garribba, E.
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Bauza, A.
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Frontera, A.
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Scott, R.
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Butcher, R.J.
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Mitra, S.
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Frontera, A. (50)
Quiñonero, D. (25)
Ballester, P. (12)
Costa, A. (12)
Deyà, P.M. (12)
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54 - Chemistry. Crystallography. Mineralogy (48)
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Ab initio calculations (6)
Noncovalent Interactions (6)
Pi interactions (6)
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