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Showing 10 out of a total of 50 results for community: Producció científica.
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Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Deyà Serra, Pere Maria
Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes
Estarellas Martín, Carolina
;
Lucas, Xavier
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Frontera Beccaria, Antonio
;
Quiñonero Santiago, David
;
Deyà Serra, Pere Maria
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
Ab initio calculations on Zinc Porphirins Complexec to Amines. Geometrical Details and NMR Chemical Shifts
Gomila Ribas, Rosa Maria
;
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Ballester Balaguer, Pablo José
;
Deyà Serra, Pere Maria
Squaramide as a binding unit in molecular recognition
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Suñer, Guillem A.
;
Morey Salvà, Jeroni
;
Costa Torres, Antonio
;
Ballester Balaguer, Pablo José
;
Deyà Serra, Pere Maria
Synthesis, X-ray characterization and computational studies of Cu(II) complexes of N-pyrazolyl pyrimidine
Cañellas, Pablo
;
Bauzá Riera, Antonio
;
García-Raso, Ángel
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Fiol Arbós, Juan Jesús
;
Deyà Serra, Pere Maria
;
Molins, Elies
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Mata, Ignasi
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Frontera Beccaria, Antonio
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
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
Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators
Quiñonero Santiago, David
;
Frontera Beccaria, Antonio
;
Deyà Serra, Pere Maria
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Alkorta, Ibon
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Elguero, José
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Deyà Serra, Pere Maria (50)
Frontera Beccaria, Antonio (50)
Quiñonero Santiago, David (43)
Ballester Balaguer, Pablo José (25)
Costa Torres, Antonio (23)
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54 - Chemistry. Crystallography. Mineralogy (44)
54 - Química (44)
Molecular Recognition (3)
Ab initio calculations (2)
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