A Theoretical Analysis of Interaction Energies and Intermolecular Interactions between Amphotericin B and Potential Bioconjugates Used in the Modification of Nanocarriers for Drug... von Cuellar, Jennifer, Parada-Díaz, Lorena, Garza, Jorge, Mejía, Sol M

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Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe3+ as Active Catalytic Specie: A Computational Approach von Sánchez-Velandia, Julián E, Mejía, Sol M, Villa, Aida L

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Looking for the Azeotrope: A Computational Study of (Ethanol)6–Water, (Methanol)6–Water, (Ethanol)7, and (Methanol)7 Heptamers von Chacón, Kevin N, Espinal, Juan F, Montero-Campillo, M. Merced, Yáñez, Manuel, Mejía, Sol M

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Study of the Mechanism of 7‐exo‐trig Cyclizations of Aryl, Vinyl, and Alkyl Radicals on Oxime Ethers von Bejarano, Carlos A., Díaz, John E., Camacho, Jairo, Flores‐Bernal, Gustavo G., Miranda, Luis D., Mejía, Sol M., Loaiza, Alix E.

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Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au8 Cluster von Burgos, Juan C, Mejía, Sol M, Metha, Gregory F

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Thermodynamics of the Isomerization of Monoterpene Epoxides von Sánchez-Velandia, Julián E, Becerra, Jaime-Andrés, Mejía, Sol M, Villa, Aída L, Martínez O, Fernando

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Experimental and theoretical study of the mechanism and rate constants of the sequential 5- exo-trig spirocyclization involving vinyl, aryl and N -alkoxyaminyl radicals von Bejarano, Carlos A, Díaz, John E, Cifuentes-López, Andrés, López, Lina V, Jaramillo-Gómez, Luz M, Buendia-Atencio, Cristian, Lorett Velásquez, Vaneza Paola, Mejía, Sol M, Loaiza, Alix E

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Lupeol acetate and alpha-amyrin terpenes activity against 'Trypanosoma cruzi': Insights into toxicity and potential mechanisms of action von Pardo-Rodriguez, Daniel, Cifuentes-López, Andres, Bravo-Espejo, Juan, Romero, Ibeth, Robles, Jorge, Cuervo, Claudia, Mejía, Sol M., Tellez, Jair

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Structural and functional computational analysis of nicotine analogs as potential neuroprotective compounds in Parkinson disease von Becerra, Gina Paola, Rojas-Rodríguez, Felipe, Ramírez, David, Loaiza, Alix E., Tobar-Tosse, Fabian, Mejía, Sol M., González, Janneth

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An orbital and electron density analysis of weak interactions in ethanol-water, methanol-water, ethanol and methanol small clusters von Florez, Elizabeth, Mondragon, Fanor

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Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au 8 Cluster von Burgos, Juan C, Mejía, Sol M, Metha, Gregory F

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The dynamic behavior of a liquid ethanol―water mixture: a perspective from quantum chemical topology von MEJIA, Sol M, MILLS, Matthew J. L, SHAIK, Majeed S, MONDRAGON, Fanor, POPELIER, Paul L. A

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Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe 3+ as Active Catalytic Specie: A Computational Approach von Sánchez-Velandia, Julián E, Mejía, Sol M, Villa, Aida L

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Impact of the edge of boron-nitride dots on the adsorption of clothianidin and dinotefuran insecticides von García-Hernández, Erwin, García-Crisóstomo, Alba M., Palomino-Asencio, Luz, Cuautli, Cristina, Mejía, Sol M., Shakerzadeh, Ehsan, Catarino-Centeno, Rafael

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Exploring the potential energy surface of nCO2 (n = 1–5) capture by imidazole-and fluorine-based ionic liquids: A DFT study von Alvarez Becerra, Mallory, Ortiz Bolaños, Daniela, Cuellar, Jennifer, Yañez, Osvaldo, Mejía, Sol M.

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Molecular Interaction of (Ethanol)2−Water Heterotrimers von Mejía, Sol M, Espinal, Juan F, Restrepo, Albeiro, Mondragón, Fanor

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The role of OH…O and CH…O hydrogen bonds and H…H interactions in ethanol/methanol–water heterohexamers von Mejía, Sol M., Espinal, Juan F., Mills, Matthew J. L., Mondragón, Fanor

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Understanding the azeotropic diethyl carbonate–water mixture by structural and energetic characterization of DEC(H2O)n heteroclusters von Ripoll, Juan D., Mejía, Sol M., Mills, Matthew J. L., Villa, Aída L.

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Caracterización computacional de ligandos orgánicos derivados de ácido fumárico para la adsorción selectiva de mercurio inorgánico von Pardo-Rodriguez, Daniel A., Mendez, John J., Mejía, Sol M.

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Density functional theory characterization of phosphate and sulfate adsorption on Fe-(hydr)oxide: Reactivity, pH effect, estimation of Gibbs free energies, and topological analysis... von Acelas, Nancy Y., Mejia, Sol M., Mondragón, Fanor, Flórez, Elizabeth

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