Theoretical study of glycine amino acid adsorption on graphene oxide
Authors (first, second and last of 7)
Collection
QUITEL 2018 (44th Congress of Theoretical Chemists of Latin Expression)
Guest edited by Bárbara Herrera and Soledad Gutiérrez-Oliva
Articles (26 in this collection)
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Five- and six-member bowl-shaped structures from acylphloroglucinols: an ab initio and DFT study
Authors
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Amyloid beta oligomers: how pH influences over trimer and pentamer structures?
Authors (first, second and last of 5)
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Interstitial sodium and lithium doping effects on the electronic and mechanical properties of silicon nanowires: a DFT study
Authors (first, second and last of 5)
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The any particle molecular orbital/molecular mechanics approach
Authors (first, second and last of 4)
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Interaction of H2O with (CuS)n, (Cu2S)n, and (ZnS)n small clusters (n = 1–4, 6): relation to the aggregation characteristics of metal sulfides at aqueous solutions
Authors (first, second and last of 4)
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Position-dependent mass Schrödinger equation for exponential-type potentials
Authors (first, second and last of 4)
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Molecular modeling of four Dermaseptin-related peptides of the gliding tree frog Agalychnis spurrelli
Authors (first, second and last of 8)
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Molecular adsorption and dissociation of CO2 on TiO2 anatase (001) activated by oxygen vacancies
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Inhibitory mechanism of 17β-aminoestrogens in the formation of Aβ aggregates
Authors (first, second and last of 8)
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Tailoring the properties of manganocene: formation of magnetic superalkali/superhalogen
Authors (first, second and last of 5)
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Theoretical study of the gas-phase thermolysis reaction of 3,6-dimethyl-1,2,4,5-tetroxane. Methyl and axial-equatorial substitution effects
Authors (first, second and last of 9)
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Theoretical study of the antioxidant capacity of the flavonoids present in the Annona muricata (Soursop) leaves
Authors (first, second and last of 5)
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A comparative study of analytic representations of potential energy curves for O2, N2, and SO in their ground electronic states
Authors (first, second and last of 4)
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A computational study on the redox properties and binding affinities of iron complexes of hydroxypyridinones
Authors (first, second and last of 5)
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Correlation between molecular acidity (pKa) and vibrational spectroscopy
Authors (first, second and last of 4)
