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Showing 10 out of a total of 10 results. (0.007 seconds)

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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
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
Theoretical ab initio study of anion-pi interactions in inorganic rings

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Tuning of the anion¿pi interaction

Bauzá Riera, Antonio; Quiñonero Sanriago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Anion-pi interactions in [S4N3]+ rings

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
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
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
Long range effects in anion-pi interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
On the directionality of anion-pi interactions

Estarellas Martín, Carolina; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Quadrupole Moment versus Molecular Electrostatic Potential: strange behaviour of ethynyl-substituted benzenes

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

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