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Química: Recent submissions

Now showing items 421-440 of 503

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 (2018-09-25)
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 (2018-09-25)
Cation-pi versus Anion-pi interactions: a complete pi-orbital analysis

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria (2018-09-25)
Coordination complexes exhibiting anion-pi interactions: synthesis, structure and theoretical studies

Barrios, Leoní A.; Aromi, Guillem; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Gámez, Patrick; Roubeau, Olivier; Shotton, Elizabeth J.; Teat, Simon J. (2018-09-25)
Interplay between cation-pi and hydrogen bonding interactions

Escudero, Daniel; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria (2018-09-25)
Supramolecular self-assembly of M-IDA complexes involving lone pair center dot center dot center dot pi interactions: crystal structures, Hirshfield surface analysis, and DFT calculations [H(2)IDA =iminodiacetic acid, M = Cu(II), Ni(II)]

Seth, Saikat Kumar; Saha, Indranil; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Kar, Tanusree; Mukhopadhyay, Subrata (2018-09-25)
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 (2018-09-25)
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 (2018-09-25)
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 (2018-09-25)
A Topological Analysis of the Electron Density in Anion-pi Interactions.

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria (2018-09-25)
Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a 'Metalloligand' [CuL] (H2L = N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations

Das, Lakshmi Kanta; Kadam, Ramakant M.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Ashutosh (2018-09-25)
Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study

Naiya, Subrata; Drew, Micahael G.B.; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Ghosh, Ashutosh (2018-09-25)
Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion¿pi interactions

Barceló Oliver, Miquel; Bauzá Riera, Antonio; Baquero, Beatriz A.; García-Raso, Ángel; Terrón Homar, Ángel; Molins, Elies; Frontera Beccaria, Antonio (2018-09-25)
MP2 Study of Cation-(pi)n-pi Interactions (n = 1-4).

Frontera Beccaria, Antonio; Quinonero Santiago, David id; Garau Rosselló, Carolina; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria (2018-09-24)
On the importance of non covalent interactions in the structure of coordination Cu(II) and Co(II) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: Experimental and theoretical views

Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá Riera, Antonio; Mague, Joel T.; Ballester Balaguer, Pablo José; Frontera Beccaria, Antonio; Zarghami, Sara (2018-09-24)
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 (2018-09-24)
The influence of H-bonding on the ¿ambidentate¿ coordination behaviour of thiocyanate ion to Cd(II): A combined experimental and theoretical study

Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Ashutosh (2018-09-24)
Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study

Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauzá Riera, Antonio; Ballester Balaguer, Pablo José; Barceló Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera Beccaria, Antonio (2018-09-24)
Surprising behaviour of M¿CO(lone pair)···pi(arene) interactions in the solid state of fluorinated oxaphosphirane complexes

Murcia-García, Cristina; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Streubel, Rainer (2018-09-24)
Relevant and Unprecedented C-H/sigma Supramolecular Interactions Involving sigma-Aromatic M2X2 Cores

Sasmal, Ashok; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Rizzoli, Corrado; Desplanches, Cédric; Charbonniere, Loïc J.; Mitra, Samiran (2018-09-24)

Now showing items 421-440 of 503

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