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Showing 10 out of a total of 50 results. (0.009 seconds)

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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.; Quiñonero, D.; 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.; Betkar, R.; Chandiramani, M.; Poonia, K.; Quinonero, D.; Frontera, A.
Interplay Between Anion-pi and Hydrogen Bonding Interactions

Escudero, D.; Frontera, A.; Quiñonero, D.; 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.; Manna, P.; Seth, S.K.; Das, A.; Meredith, J.; Helliwell, M.; Bauza, A.; Choudhury, S.R.; 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.; Seth, S.K.; Choudhury, S.R.; Manna, P.; Das, A.; Helliwell, M.; Bauzá, A.; Mukhopadhyay, S.; 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.; Barceló-Oliver, M.; Tasada, A.; Frontera, A.; Terrón, A.; 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.; Drew, M.G.B.; Diaz, C.; Bauza, A.; Frontera, A.; 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.; Albertí, F.M.; Bauzá, A.; Barceló-Oliver, M.; García-Raso, A.; Fiol, J.J.; Molins, E.; Caubet, A.; Frontera, A.
Anion-pi Interactions Involving [MXn]m- Anions: A Comprehensive Theoretical Study

Estarellas, C.; Quiñonero, D.; Deya, P.M.; Frontera, A.
Reversible Switching of the Electronic Ground State in a Pentacoordinated Copper(II) Complex

Sasmal, A.; Saha, S.; Gomez Garcia, C.J.; Desplanches, C.; Garribba, E.; Bauza, A.; Frontera, A.; Scott, R.; Butcher, R.J.; Mitra, S.

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