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Showing 10 out of a total of 67 results. (0.006 seconds)

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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
Structure and Binding Energy of Anion-pi and Cation-pi Complexes: A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods.

Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
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
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
A theoretical ab initio study of [n.n]paracyclophane complexes with cations

Frontera Beccaria, Antonio; Quiñonero Santiago, David; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Pichierri, Fabio
Anion-pi interactions in [S4N3]+ rings

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Interplay between cation-pi and hydrogen bonding interactions: Are non-additivity effects additive?

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Estimating ring strain energies in small carbocycles by means of the Bader's theory of 'atoms-in-molecules'

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio

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