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Computational chemistry
9
"Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(4,4′-oxydibenzoato-κO)cobalt(II) dihydrate" (2018) Atria, A.M.;Parada, J.;Moreno, Y. (...)Peña, O. Acta Crystallographica Section C: Structural Chemistry. 74(1):37-44
"Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(4,4′-oxydibenzoato-κO)cobalt(II) dihydrate" (2018) Atria, A.M.;Parada, J.;Moreno, Y. (...)Peña, O. Acta Crystallographica Section C: Structural Chemistry. 74(1):37-44
"Foundations of the LRESC model for response properties and some applications" (2018) Aucar, G.A.; Melo, J.I.; Aucar, I.A.; Maldonado, A.F. International Journal of Quantum Chemistry. 118(1)
"Crystallographic and computational study of a network composed of [ZnCl4]2- anions and triply protonated 4′-functionalized terpyridine cations" (2017) Granifo, J.; Suárez, S.; Boubeta, F.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(12):1121-1130
"Crystallographic and computational study of a network composed of [ZnCl4]2- anions and triply protonated 4′-functionalized terpyridine cations" (2017) Granifo, J.; Suárez, S.; Boubeta, F.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(12):1121-1130
"A dynamic look on molecular symmetry" (2017) Barón, M.; Bain, A.D.; Conde, R.S. Canadian Journal of Chemistry. 95(7):736-743
"A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone" (2017) Suárez, S.;Manzano, V.E.;Fantoni, A.C. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(12):1137-1143
"A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone" (2017) Suárez, S.;Manzano, V.E.;Fantoni, A.C. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(12):1137-1143
"Ligand migration in methanosarcina acetivorans protoglobin: Effects of ligand binding and dimeric assembly" (2011) Forti, F.;Boechi, L.;Bikiel, D. (...)Luque, F.J. Journal of Physical Chemistry B. 115(46):13771-13780