Revisiting hollow all-carbon structures: Aromaticity and kinetic stability von Yañez, Osvaldo, Rios, Ricardo Pino

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Planar Hexacoordinate Carbons: Half Covalent, Half Ionic von Leyva‐Parra, Luis, Diego, Luz, Yañez, Osvaldo, Inostroza, Diego, Barroso, Jorge, Vásquez‐Espinal, Alejandro, Merino, Gabriel, Tiznado, William

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Adsorption of aminomethylphosphonic acid on pristine graphene and graphene doped with transition metals: A theoretical study von Sacanamboy, Dumer S., Quispe-Corimayhua, Luis, Tilvez, Elkin A., Yañez, Osvaldo

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Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital‐weighted fukui function von Pino‐Rios, Ricardo, Yañez, Osvaldo, Inostroza, Diego, Ruiz, Lina, Cardenas, Carlos, Fuentealba, Patricio, Tiznado, William

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AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules von Yañez, Osvaldo, Báez-Grez, Rodrigo, Inostroza, Diego, Rabanal-León, Walter A, Pino-Rios, Ricardo, Garza, Jorge, Tiznado, W

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Introducing KICK-MEP: exploring potential energy surfaces in systems with significant non-covalent interactions von García-Argote, Williams, Ruiz, Lina, Inostroza, Diego, Cardenas, Carlos, Yañez, Osvaldo, Tiznado, William

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Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11 von Yañez, Osvaldo, Inostroza, Diego, Usuga-Acevedo, Brandon, Vásquez-Espinal, Alejandro, Pino-Rios, Ricardo, Tabilo-Sepulveda, Mauricio, Garza, Jorge, Barroso, Jorge, Merino, Gabriel, Tiznado, William

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Graphene-supported MB36 clusters (M=Fe, Co, Ni) as a single-atom electrocatalyst for the oxygen reduction reaction: A DFT study von Solar-Encinas, José, Vásquez-Espinal, Alejandro, Yañez, Osvaldo, Tiznado, William, Orellana, Walter

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Kick–Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction von Yañez, Osvaldo, Báez-Grez, Rodrigo, Inostroza, Diego, Pino-Rios, Ricardo, Rabanal-León, Walter A, Contreras-García, Julia, Cardenas, Carlos, Tiznado, William

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Development of a Nanostructured Lipid Carrier (NLC) by a Low-Energy Method, Comparison of Release Kinetics and Molecular Dynamics Simulation von Ortiz, Andrea C, Yañez, Osvaldo, Salas-Huenuleo, Edison, Morales, Javier O

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Coumarin-Chalcone Hybrids as Inhibitors of MAO-B: Biological Activity and In Silico Studies von Moya-Alvarado, Guillermo, Yañez, Osvaldo, Morales, Nicole, González-González, Angélica, Areche, Carlos, Núñez, Marco Tulio, Fierro, Angélica, García-Beltrán, Olimpo

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Searching for double σ- and π-aromaticity in borazine derivatives von Pino-Rios, Ricardo, Vásquez-Espinal, Alejandro, Yañez, Osvaldo, Tiznado, William

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Exploring the viability of noble gas endohedral siladodecahedranes and its perhalogenated derivatives von Báez-Grez, Rodrigo, Vásquez-Espinal, Alejandro, Yáñez, Osvaldo, Pino-Rios, Ricardo

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Mixed micellization of bile salts and transglycosylated stevia and enhanced binding and solubility of non-steroidal anti-inflammatory drugs using mixed micelle von Srivastava, Anirudh, Yañez, Osvaldo, Cantero-López, Plinio

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Screening of the antileishmanial and antiplasmodial potential of synthetic 2-arylquinoline analogs von Espinosa-Saez, Roger, Robledo, Sara M., Pineda, Tatiana, Murillo, Javier, Zúñiga, César, Yañez, Osvaldo, Cantero-López, Plinio, Saez-Vega, Alex, Guzmán-Teran, Camilo

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Discovery of New 2-Phenylamino-3-acyl-1,4-naphthoquinones as Inhibitors of Cancer Cells Proliferation: Searching for Intra-Cellular Targets Playing a Role in Cancer Cells Survival von Benites, Julio, Valderrama, Jaime A, Contreras, Álvaro, Enríquez, Cinthya, Pino-Rios, Ricardo, Yáñez, Osvaldo, Buc Calderon, Pedro

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Machine Learning-Driven Classification of Urease Inhibitors Leveraging Physicochemical Properties as Effective Filter Criteria von Morales, Natalia, Valdés-Muñoz, Elizabeth, González, Jaime, Valenzuela-Hormazábal, Paulina, Palma, Jonathan M, Galarza, Christian, Catagua-González, Ángel, Yáñez, Osvaldo, Pereira, Alfredo, Bustos, Daniel

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A physicochemical and conformational study of co-solvent effect on the molecular interactions between similarly charged protein surfactant (BSA-SDBS) system von Sharma, Vivek, Yañez, Osvaldo, Alegría-Arcos, Melissa, Kumar, Ashish, Thakur, Ramesh C., Cantero-López, Plinio

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On the NICS limitations to predict local and global current pathways in polycyclic systems von Inostroza, Diego, García, Victor, Yañez, Osvaldo, Torres-Vega, Juan J, Vásquez-Espinal, Alejandro, Pino-Rios, Ricardo, Báez-Grez, Rodrigo, Tiznado, William

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Removal of highly concentrated methylene blue dye by cellulose nanofiber biocomposites von Oyarce, Estefanía, Cantero-López, Plinio, Roa, Karina, Boulett, Andrés, Yáñez, Osvaldo, Santander, Paola, del C. Pizarro, Guadalupe, Sánchez, Julio

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