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Showing 10 out of a total of 247 results for community: Producció científica. (0.007 seconds)

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Internal rotation in squaramide and related compounds. A theoretical ab initio study

Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Suñer, Guillem A.; Quiñonero Santiago, David; Garau Rosselló, Carolina; Costa Torres, Antonio; Ballester Balaguer, Pablo José
Predicting Experimental Complexation-Induced Changes in 1H-NMR Chemical Shifts for Complexes between metalloPorphyrins and ligands Using the ab-Initio/Giao-HF Methodology

Gomila Ribas, Rosa María; Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria a
Ultrasensitive and fast voltammetric determination of iron in seawater by atmospheric oxygen catalysis in 500 l samples

Caprara, Salvatore; Laglera Baquer, Luis Miguel M.; Monticelli, Damiano
A Topological Analysis of Charge Density in Complexes between Derivatives of Squaric Acid and Ammonium Cation

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Garau Rosselló, Carolina; Costa Torres, Antonio; Deyà Serra, Pere Maria
Dinuclear and Heptanuclear Nickel(II) Complexes: Anion Coordination Induced Ligand Arm Hydrolysis and Aggregation Around a Nickel(II) Core

Ghosh, Aloke Kumar; Bauzá Riera, Antonio; Bertolasi, Valerio; Frontera Beccaria, Antonio; Ray, Debashis
Cation-pi versus anion-pi interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
MP2 study of the dual sigma/pi anion-binding affinity of fluorinated phthallic acid anhydrides

Estarellas Martín, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Morey Salvà, Jeroni; Costa Torres, Antonio; Deyà Serra, Pere Maria
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

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