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Cation-pi versus Anion-pi Interactions: Energetic, Charge Transfer, and Aromatic Aspects
Garau, C.
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Frontera, A.
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Quiñonero, D.
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Ballester, P.
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Costa, A.
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Deya, P.M.
Ab initio Investigations of Lithium Diffusion in Single-Walled Carbon Nanotubes
Garau, C.
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Frontera, A.
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Quiñonero, D.
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Ballester, P.
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Costa, A.
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Deya, P.M.
Crystal Structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M= Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers
Cánaves, M.M.
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Cabra, M.I.
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Bauzá, A.
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Cañellas, P.
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Sánchez, K.
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Orvay, F.
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García-Raso, A.
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Fiol, J.J.
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Terrón, A.
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Barceló-Oliver, M.
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Ballester, P.
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Mata, I.
;
Molins, E.
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Hussain, F.
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Frontera, A.
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.
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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.
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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.
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.
On the reliability of pure and hybrid DFT methods for the evaluation of halogen, chalcogen and pnicogen bonds involving anionic and neutral electron donors
Bauza, A.
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Alkorta, I.
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Frontera, A.
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Elguero, J.
Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH···F bonds
Degtyarenko, A.S.
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Rusanov, E.B.
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Bauza, A.
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Frontera, A.
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Krautscheid, H.
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Chernega, A.N.
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Mokhir, A.A.
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Domasevitch, K.V.
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. (48)
Quiñonero, D. (24)
Deyà, P.M. (12)
Estarellas, C. (12)
Ballester, P. (11)
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54 - Chemistry. Crystallography. Mineralogy (48)
54 - Química (48)
Ab initio calculations (6)
Noncovalent Interactions (6)
Pi interactions (6)
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