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Showing 9 out of a total of 39 results. (0.007 seconds)

Now showing items 31-39 of 39

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
Synthesis, Structure and Binding Properties of Lipophilic Cavitands based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold

Galan, Albano; Escudero-Adán, Eduardo C.; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José
The Resonance Model in Amides: A Combined Crystallographic and ab initio Investigation

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Capó Cañellas, Magdalena; Ballester Balaguer, Pablo José; Suñer, Guillem A.; Garau Rosselló, Carolina; Deyà Serra, Pere M.
Lithium Diffusion in Single-Walled Carbon Nanotubes: A Theoretical Study

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deya Serra, Pere Maria
3-Picoline Mediated Self-assembly of M(II)¿Malonate Complexes (M = Ni/Co/Mn/Mg/Zn/Cu) Assisted by Various Weak Forces Involving Lone pair-pi, pi-pi and Anion···pi-hole Interactions

Mitra, Monojit; Manna, Prankrishna; Bauzá Riera, Antonio; Ballester Balaguer, Pablo José; Seth, Saikat Kumar; Choudhury, Somnath Ray; Frontera Beccaria, Antonio; Mukhopadhyay, Subrata
Self-assembly of [2]Rotaxane exploiting Reversible Pt(II)-Pyridine Coordinate Bonds

Ballester Balaguer, Pablo José; Capó, Magdalena; Costa Torres, Antonio; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Gomila Ribas, Rosa Maria (MDPI, )
Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride<br>π Interactions in Solution

Bauzá Riera, Antonio; Quiñonero, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José (MDPI AG, Basel, Switzerland, 2015)
A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

Sanna, Elena; Escudero-Adán, Eduardo Carmelo; Bauzá Riera, Antonio; Ballester Balaguer, Pablo José; Frontera Beccaria, Antonio; Rotger Pons, María del Carmen; Costa Torres, Antonio (Royal Society of Chemistry, 2015-07-14)

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