Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be4B8 Cluster at Different Temperatures
Buelna-García, Carlos Emiliano, Robles-Chaparro, Eduardo, Parra-Arellano, Tristan, Quiroz-Castillo, Jesus Manuel, del-Castillo-Castro, Teresa, Martínez-Guajardo, Gerardo, Castillo-Quevedo, Cesar, de-León-Flores, Aned, Anzueto-Sánchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola, Mendoza-Wilson, Ana Maria, Vásquez-Espinal, Alejandro, Cabellos, Jose Luis
Published in Molecules (Basel, Switzerland) (28.06.2021)
Published in Molecules (Basel, Switzerland) (28.06.2021)
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Journal Article
Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon
Torres-Vega, Juan J., Alcoba, Diego R., Oña, Ofelia B., Vásquez-Espinal, Alejandro, Báez-Grez, Rodrigo, Lain, Luis, Torre, Alicia, García, Víctor, Tiznado, William
Published in Chemistry an international journal (01.12.2021)
Published in Chemistry an international journal (01.12.2021)
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Journal Article
Planar Hexacoordinate Carbons: Half Covalent, Half Ionic
Leyva‐Parra, Luis, Diego, Luz, Yañez, Osvaldo, Inostroza, Diego, Barroso, Jorge, Vásquez‐Espinal, Alejandro, Merino, Gabriel, Tiznado, William
Published in Angewandte Chemie International Edition (12.04.2021)
Published in Angewandte Chemie International Edition (12.04.2021)
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Journal Article
Li2B12 and Li3B12: Prediction of the Smallest Tubular and Cage‐like Boron Structures
Dong, Xue, Jalife, Said, Vásquez‐Espinal, Alejandro, Ravell, Estefanía, Pan, Sudip, Cabellos, José Luis, Liang, Wei‐yan, Cui, Zhong‐hua, Merino, Gabriel
Published in Angewandte Chemie International Edition (16.04.2018)
Published in Angewandte Chemie International Edition (16.04.2018)
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Journal Article
Planar Hypercoordinate Carbons in Alkali Metal Decorated CE32− and CE22− Dianions
Leyva‐Parra, Luis, Diego, Luz, Inostroza, Diego, Yañez, Osvaldo, Pumachagua‐Huertas, Rodolfo, Barroso, Jorge, Vásquez‐Espinal, Alejandro, Merino, Gabriel, Tiznado, William
Published in Chemistry : a European journal (01.12.2021)
Published in Chemistry : a European journal (01.12.2021)
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Journal Article
Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π‐System
Yañez, Osvaldo, Báez‐Grez, Rodrigo, Garza, Jorge, Pan, Sudip, Barroso, Jorge, Vásquez‐Espinal, Alejandro, Merino, Gabriel, Tiznado, William
Published in Chemphyschem (16.01.2020)
Published in Chemphyschem (16.01.2020)
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Journal Article
Li6E5Li6: Tetrel Sandwich Complexes with 10‐π‐Electrons
Inostroza, Diego, Leyva‐Parra, Luis, Pino‐Rios, Ricardo, Solar‐Encinas, José, Vásquez‐Espinal, Alejandro, Pan, Sudip, Merino, Gabriel, Yañez, Osvaldo, Tiznado, William
Published in Angewandte Chemie International Edition (25.01.2024)
Published in Angewandte Chemie International Edition (25.01.2024)
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Journal Article
Coaxial Triple‐Layered versus Helical Be6B11− Clusters: Dual Structural Fluxionality and Multifold Aromaticity
Guo, Jin‐Chang, Feng, Lin‐Yan, Wang, Ying‐Jin, Jalife, Said, Vásquez‐Espinal, Alejandro, Cabellos, José Luis, Pan, Sudip, Merino, Gabriel, Zhai, Hua‐Jin
Published in Angewandte Chemie International Edition (14.08.2017)
Published in Angewandte Chemie International Edition (14.08.2017)
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Journal Article
Minimizing the Risk of Reporting False Aromaticity and Antiaromaticity in Inorganic Heterocycles Following Magnetic Criteria
Torres-Vega, Juan J, Vásquez-Espinal, Alejandro, Caballero, Julio, Valenzuela, María L, Alvarez-Thon, Luis, Osorio, Edison, Tiznado, William
Published in Inorganic chemistry (07.04.2014)
Published in Inorganic chemistry (07.04.2014)
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Journal Article
BH4Ng+ (Ar−Rn): Viable Compounds with a B−Ng Covalent Bond
Pino‐Rios, Ricardo, Vásquez‐Espinal, Alejandro, Pan, Sudip, Cerpa, Erick, Tiznado, William, Merino, Gabriel
Published in Chemphyschem (14.02.2023)
Published in Chemphyschem (14.02.2023)
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Journal Article
Chitosan/P3HT biohybrid films as polymer matrices for the in‐situ synthesis of CdSe quantum dots. Experimental and theoretical studies
Moreno‐Serna, Viviana, Méndez‐López, Maximiliano, Vásquez‐Espinal, Alejandro, Saldías, Cesar, Leiva, Ángel
Published in Journal of applied polymer science (20.09.2020)
Published in Journal of applied polymer science (20.09.2020)
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Journal Article
Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium‐Silicon Aromatic Units
Manrique‐de‐la‐Cuba, María Fernanda, Leyva‐Parra, Luis, Inostroza, Diego, Gomez, Badhin, Vásquez‐Espinal, Alejandro, Garza, Jorge, Yañez, Osvaldo, Tiznado, William
Published in Chemphyschem (17.05.2021)
Published in Chemphyschem (17.05.2021)
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Journal Article
Theobroma cacao L. compounds: Theoretical study and molecular modeling as inhibitors of main SARS-CoV-2 protease
Yañez, Osvaldo, Osorio, Manuel Isaías, Areche, Carlos, Vasquez-Espinal, Alejandro, Bravo, Jessica, Sandoval-Aldana, Angélica, Pérez-Donoso, José M., González-Nilo, Fernando, Matos, Maria João, Osorio, Edison, García-Beltrán, Olimpo, Tiznado, William
Published in Biomedicine & pharmacotherapy (01.08.2021)
Published in Biomedicine & pharmacotherapy (01.08.2021)
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Journal Article
Exploration of Free Energy Surface of the Au10 Nanocluster at Finite Temperature
Rojas-González, Francisco Eduardo, Castillo-Quevedo, César, Rodríguez-Kessler, Peter Ludwig, Jimenez-Halla, José Oscar Carlos, Vásquez-Espinal, Alejandro, Eithiraj, Rajagopal Dashinamoorthy, Cortez-Valadez, Manuel, Cabellos, José Luis
Published in Molecules (Basel, Switzerland) (18.07.2024)
Published in Molecules (Basel, Switzerland) (18.07.2024)
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Journal Article
A Fukui function‐guided genetic algorithm. Assessment on structural prediction of Sin (n = 12–20) clusters
Yañez, Osvaldo, Vásquez‐Espinal, Alejandro, Inostroza, Diego, Ruiz, Lina, Pino‐Rios, Ricardo, Tiznado, William
Published in Journal of computational chemistry (15.07.2017)
Published in Journal of computational chemistry (15.07.2017)
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Journal Article
Bowl‐shaped Cluster CuB12−: A Viable Global Minimum with Twofold Aromaticity
Solar‐Encinas, José, Leyva‐Parra, Luis, Yáñez, Osvaldo, Inostroza, Diego, Barrios‐Llacuachaqui, Julio R., Vásquez‐Espinal, Alejandro, Orellana, Walter, Tiznado, William
Published in Chemphyschem (06.10.2022)
Published in Chemphyschem (06.10.2022)
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Journal Article
Theoretical Study of the Antioxidant Activity of Quercetin Oxidation Products
Vásquez-Espinal, Alejandro, Yañez, Osvaldo, Osorio, Edison, Areche, Carlos, García-Beltrán, Olimpo, Ruiz, Lina María, Cassels, Bruce K, Tiznado, William
Published in Frontiers in chemistry (27.11.2019)
Published in Frontiers in chemistry (27.11.2019)
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Journal Article
E5M7+ (E=C–Pb, M=Li–Cs): A Source of Viable Star‐Shaped Clusters
Vásquez‐Espinal, Alejandro, Palacio‐Rodríguez, Karen, Ravell, Estefanía, Orozco‐Ic, Mesías, Barroso, Jorge, Pan, Sudip, Tiznado, William, Merino, Gabriel
Published in Chemistry, an Asian journal (04.07.2018)
Published in Chemistry, an Asian journal (04.07.2018)
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Journal Article
Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn6Ge2Bi]3– and [(Sn6Ge2Bi)2]4– Structures
Báez-Grez, Rodrigo, Garza, Jorge, Vásquez-Espinal, Alejandro, Osorio, Edison, Rabanal-León, Walter A, Yañez, Osvaldo, Tiznado, William
Published in Inorganic chemistry (05.08.2019)
Published in Inorganic chemistry (05.08.2019)
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Journal Article
Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
Vásquez-Espinal, Alejandro, Poater, Jordi, Solà, Miquel, Tiznado, William, Islas, Rafael
Published in New journal of chemistry (07.02.2017)
Published in New journal of chemistry (07.02.2017)
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Journal Article