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2-Aminopyrimidine derivatives exhibiting anion-pi interactions: a combined crystallographic and theoretical study.

García Raso, Ángel; Albertí Aguiló, Francisca Maria; Fiol Arbós, Juan Jesús; Tasada Lozano, Andrés; Barceló Oliver, Miquel; Molins, Elies; Estarellas Martín, Carolina.; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4 '-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study

Kar, Paramita; Biswas, Rituparna; Drew, Michael G.B.; Frontera Beccaria, Antonio; Ghosh, Ashutosh
Polymorphism in hetero-metallic tri-nuclear CuII2CdII complexes of salicylaldimine ligand: Structural analysis and theoretical study

Das, Lakshmi Kas; Biswas, Apurba; Frontera Beccaria, Antonio; Ghosh, Ashutosh
Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study

Bauzá Riera, Antonio; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Synthesis, X-Ray structure analysis and computational studies of novel Bis(thiocarbamoyl) Disulfides with non-covalent S···N and S···S interactions

Saczewski, Jaroslaw; Frontera Beccaria, Antonio; Gdaniec, Maria; Brzozowski, Zdzislaw; Saczewski, Franciszek; Tabin, Piotr; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Is the use of diffuse functions essential for the properly description of noncovalent interactions involving anions?

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Rational Design, Synthesis and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media

Frontera Beccaria, Antonio; Morey Salvà, Jeroni; Oliver, A.; Piña Capó, María de la Nieves; Quinonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria; Anslyn, Eric V.
Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion-pi-Anion and Nonclassical C-H···Anion Interactions

Brooker, Sally; White, Nicholas G.; Bauzá Riera, Antonio; Deyà, Pere Maria; Frontera Beccaria, Antonio
Cooperativity effects between non-covalent interactions: are they important for Z-DNA stability?

Escudero, Daniel; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations

Chakraborty, Prateeti; Adhikary, Jaydeep; Sanyal, Ria; Khan, Amitava; Manna, Krishnendu; Dey, Sanjit; Zangrando, Ennio; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Das, Debasis

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