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Showing 10 out of a total of 148 results. (0.015 seconds)

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Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes

Estarellas Martín, Carolina; Lucas, Xavier; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
s-Tetrazine as a New Binding Unit in Molecular Recognition of Anions

Garau Rosselló, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
A novel fluoride selective optical chemosensor based on internal charge transfer signaling

Mashraqui, S.H.; Betkar, Rupesh; Chandiramani, M.; Quiñonero Santiago, David; Frontera Beccaria, Antonio
Intramolecular Noncovalent Force in Cyclic Amidines: Nonbonded Interaction between Carbon Atoms and Heteroatoms

Qian, Xuhong; Xu, Xiaoyong; Li, Zhibin; Frontera Beccaria, Antonio
On the mechanism of the lithiation of hydric aromatics: direct NMR evidence for short H-Li contacts in mixed aggregates

Saá Rodríguez, José Manuel; Martorell Crespí, Gabriel; Frontera Beccaria, Antonio
Anion-pi interactions in bisadenine derivatives: a combined crystallographic and theoretical study.

García-Raso, Ángel; Albertí Aguiló, Francisca M.; Fiol Arbós, Juan Jesús; Tasada Lozano, Andrés; Barceló Oliver, Miquel; Molins, Elies; Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
The different nature of the interactions between anions and HAT(CN)6: from reversible anion-pi complexes to irreversible electron transfer processes (HAT(CN)6 = 1,4,5,8,9,12-hexaazatriphenylene)

Aragay, Gemma; Frontera Beccaria, Antonio; Lloveras, Vega; Vidal-Gancedo, José; Ballester Balaguer, Pablo José
Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies

Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera Beccaria, Antonio; Hassanpoor, Azam
Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework

Govor, Evgen V.; Lysenko, Andrey B.; Quiñonero Santiago, David; Rusanov, Edward B.; Chernega, Alexander N.; Moellmer, Jens; Staudt, Reiner; Krautscheid, Harald; Frontera Beccaria, Antonio; 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

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