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Showing 6 out of a total of 36 results. (0.005 seconds)

Now showing items 31-36 of 36

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

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