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Química: Recent submissions

Now showing items 341-360 of 502

Encapsulation of anions: Macrocyclic receptors based on metal coordination and anion-pi interactions

Frontera Beccaria, Antonio (2018-10-09)
RI-MP2 and MPWB1K Study of pi-Anion-pi' Complexes: MPWB1K Performance and Some Additivity Aspects

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Russo, Nino; Deyà Serra, Pere Maria (2018-10-09)
Applicability of the 1H NMR Chemical Shifts Computed by the ab initio/GIAO-HF Methodology to the Study of Geometrical Features of Zn-Porphyrin Dimers.

Gomila Ribas, Rosa María; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria (2018-10-09)
Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules.

Rotger Pons, María del Carmen; Piña Capó, María de las Nieves; Frontera Beccaria, Antonio; Martorell Crespí, Gabriel; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria; Costa Torres, Antonio (2018-10-09)
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 (2018-10-09)
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 (2018-10-09)
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 (2018-10-09)
The role of proton shuttling mechanisms in solvent-free and catalyst-free acetalization reactions of imines

Lillo, Víctor J.; Mansilla, Javier; Saá Rodríguez, José Manuel (2018-10-09)
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. (2018-10-09)
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 (2018-10-08)
Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: structural characterization and theoretical investigation

Biswas, Saptarshi; Naiya, Subrata; Drew, Michael G.B.; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Ghosh, Ashutosh (2018-10-08)
Induced-Polarization Energy Map: A Helpful Tool for Predicting Geometric Features of Anion-pi Complexes

Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria (2018-10-08)
Theoretical ab initio study of lone pair and anion-pi interactions in fluorinated tropolones

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio (2018-10-08)
Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine-fluorine noncovalent interactions.

Barceló Oliver, Miquel; Estarellas Martín, Carolina; García-Raso, Ángel; Terrón Homar, Ángel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Mata, Ignasi; Molins, Elies; Deyà Serra, Pere Maria (2018-10-08)
Dual binding mode of s-triazine to anions and cations

Garau Rosselló, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria (2018-10-08)
Weak CH/pi Interaction Participates in the Diastereoselectivity of a Host-Guest Complex in the Presence of Six Strong Hydrogen Bonds

Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria (2018-10-08)
A theoretical study of anion-pi interactions in seven-membered rings

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Escudero, Daniel; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria (2018-10-08)
Dual Cation and Anion Acceptor Molecules. The case of (η6-C6H6)(η6-C6F6)Cr(0) Complex

Alkorta, Ibon; Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Elguero, José; Deyà Serra, Pere Maria (2018-10-08)
Pnicogen-pi complexes: theoretical study and biological implications.

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria a; Frontera Beccaria, Antonio (2018-10-08)
Cooperativity in multiple unusual weak bonds

Alkorta, Ibon; Blanco, Fernando; Deyà Serra, Pere Maria; Elguero, José; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David (2018-10-05)

Now showing items 341-360 of 502

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