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Showing 10 out of a total of 44 results for community: Articles. (0.007 seconds)

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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
OPLS All-Atom Force Field for Squaramides and Squaric Acid

Quiñonero Santiago, David; Tomàs, Salvador; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Garau Rosselló, Carolina; Costa Torres, Antonio; Deyà Serra, Pere Maria
A Theoretical Study of Aromaticity in Squaramide and Oxocarbons

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
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
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
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
Interplay between edge-to-face aromatic and hydrogen-bonding interactions

Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
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
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
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

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