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Showing 10 out of a total of 133 results for community: Producció científica. (0.008 seconds)

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Supramolecular assemblies involving anion-pi and lone pair-pi interactions: experimental observation and theoretical analysis

Das, Amrita; Choudhury, Somnath Ray; Estarellas Martín, Carolina; Dey, Biswajit; Frontera Beccaria, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata
Radical cation (C(·+)-pi) and radical anion (A(·-)-pi) interactions with aromatic rings: energetic, orbitalic and spin density considerations

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
A new benzimidazolium incorporated chemodosimeter affording dual chromogenic and fluorescence switch-on signaling for the selective targeting of cyanide

Mashraqui, Sabir H.; Betkar, Rupesh; Ghorpade, Sushil; Frontera Beccaria, Antonio
Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; 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
Analysis of the contribution of the pi-acidity of the s-tetrazine ring in the crystal packing of coordination polymers

Seth, Piya; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh
Recent developments in the crystal engineering of diverse coordination modes (0¿12) for Keggin-type polyoxometalates in hybrid inorganic-organic architectures

Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein.; Alipour, Mahboubeh; Frontera Beccaria, Antonio
The Nature of Non-Covalent Carbon Bonding Interaction Derived from Experimental Charge-Density Analysis

Escudero-Adán, Eduardo C.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José
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

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