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Química: Recent submissions

Now showing items 401-420 of 503

Experimental and Computational Study of Counterintuitive ClO4(-)···ClO4(-) Interactions and the Interplay between pi+···pi and Anion···pi+ Interactions

Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Choudhury, Somnath Ray; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Mukhopadhyay, Subrata (2018-09-27)
Non-covalent sp3 carbon bonding with ArCF3 is analogous to CH-pi interactions.

Bauzá Riera, Antonio; Mooibroek, Tiddo J.; Frontera Beccaria, Antonio (2018-09-26)
Unusual Nitrosyl¿Nitrosyl Interaction in Coordination Polymers of Ni(II) and Co(II) Complexes with α,ω-bis(benzotriazoloxy)alkane System

Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Mitra, Samiran (2018-09-26)
Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations

Chakraborty, Prateeti; Adhikary, Jaydeep; Sanyal, Ria; Khan, Amitava; Manna, Krishnendu; Dey, Sanjit; Zangrando, Ennio; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Das, Debasis (2018-09-26)
Unexpected Binding Affinity of [2.2]Paracyclophane to Cations

Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria (2018-09-26)
Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations

Vidal-Ferran, Anton; Mon, Ignasi; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Rovira, Laura (2018-09-26)
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 (2018-09-25)
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 (2018-09-25)
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 (2018-09-25)
A Theoretical Study of Aromaticity in Squaramide and Oxocarbons

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria (2018-09-25)
Analytical strategies for coupling separation and flow-injection techniques

Clavijo Roa, Sabrina del Sol; Avivar Cerezo, Jessica; Suárez Sánchez, Ruth; Cerdà Martín, Víctor (2018-09-25)
Quantification of iron in seawater at the low picomolar range based on the optimization of the bromate-ammonia-dihydroxynaphtalene system by catalytic adsorptive cathodic stripping voltammetry

Laglera Baquer, Luis Miguel; Santos Echeandía, Juan; Caprara, Salvatore; Monticelli, Damiano (2018-09-25)
Counterintuitive affinity of [2.2]paracyclophane to cations

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Pichierri, Fabio (2018-09-25)
Theoretical and Crystallographic Study of edge-to-face aromatic interactions between pyridine moieties and benzene

Escudero, Daniel; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria (2018-09-25)
Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide.

Frontera Beccaria, Antonio; Orell, Maria; Garau Rosselló, Carolina; Quiñonero Santiago, David; Molins, Elies; Mata, Ignasi; Morey Salvà, Jeroni (2018-09-25)
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; Alkorta, Ibon; Elguero, José (2018-09-25)
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 (2018-09-25)
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 (2018-09-25)
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 (2018-09-25)
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 (2018-09-25)

Now showing items 401-420 of 503

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