Stability of doubly and triply H-bonded complexes governed by acidity-basicity relationships by Vallejo Narváez, Wilmer E, Jiménez, Eddy I, Cantú-Reyes, Margarita, Yatsimirsky, Anatoly K, Hernández-Rodríguez, Marcos, Rocha-Rinza, Tomás

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Bifunctional Thioureas with α‑Trifluoromethyl or Methyl Groups: Comparison of Catalytic Performance in Michael Additions by Jiménez, Eddy I, Vallejo Narváez, Wilmer E, Román-Chavarría, Carlos A, Vazquez-Chavez, Josue, Rocha-Rinza, Tomás, Hernández-Rodríguez, Marcos

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In silico modeling: electronic properties of phosphorene monoflakes and biflakes substituted with Al, Si, and S heteroatoms by de la Garza, Cesar Gabriel Vera, Rodriguez, Luis Daniel Solis, Fomine, Serguei, Vallejo Narváez, Wilmer E.

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Electronic Structure and Noncovalent Interactions within Ion–Radical Complexes of N‑(2-Furylmethyl)aniline Molecular Ions by Narvaez, Wilmer EVallejo, Rocha-Rinza, Tomas

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Water clusters as bifunctional catalysts in organic chemistry: the hydrolysis of oxirane and its methyl derivatives by Sauza-de la Vega, Arturo, Salazar-Lozas, Hugo, Vallejo Narváez, Wilmer E, Hernández-Rodríguez, Marcos, Rocha-Rinza, Tomás

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On the strength of hydrogen bonding within water clusters on the coordination limit by Castor‐Villegas, Víctor Manuel, Guevara‐Vela, José Manuel, Vallejo Narváez, Wilmer E., Martín Pendás, Ángel, Rocha‐Rinza, Tomás, Fernández‐Alarcón, Alberto

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Acidity and basicity interplay in amide and imide self-association by Vallejo Narváez, Wilmer E, Jiménez, Eddy I, Romero-Montalvo, Eduardo, Sauza-de la Vega, Arturo, Quiroz-García, Beatriz, Hernández-Rodríguez, Marcos, Rocha-Rinza, Tomás

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The effect of chiral N-substituents with methyl or trifluoromethyl groups on the catalytic performance of mono- and bifunctional thioureas by Vazquez-Chavez, Josué, Luna-Morales, Socorro, Cruz-Aguilar, Diego A, Díaz-Salazar, Howard, Vallejo Narváez, Wilmer E, Silva-Gutiérrez, Rodrigo S, Hernández-Ortega, Simón, Rocha-Rinza, Tomás, Hernández-Rodríguez, Marcos

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Density functional theory and RRKM calculations of decompositions of the metastable E-2,4-pentadienal molecular ions by Solano Espinoza, Eduardo A, Vallejo Narváez, Wilmer E

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Density functional theory and RRKM calculations of the gas-phase unimolecular rearrangements of methylfuran and pyran ions before fragmentations by Solano Espinoza, Eduardo A, Vallejo Narváez, Wilmer E

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Catalytic activity of silicene biflakes for CO 2 reduction: a theoretical approach by Vallejo Narváez, Wilmer E, Vera de la Garza, Cesar Gabriel, Fomine, Serguei

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Design and application of a bifunctional organocatalyst guided by electron density topological analyses by Jiménez, Eddy I., Vallejo Narváez, Wilmer E., Rocha-Rinza, Tomás, Hernández-Rodríguez, Marcos

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Catalytic activity of silicene biflakes for CO2 reduction: a theoretical approach by Vallejo Narváez, Wilmer E, Cesar Gabriel Vera de la Garza, Fomine, Serguei

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Relationships between DFT/RRKM Branching Ratios of the Complementary Fragment Ions [C5H5O]+ and [M – C5H5O]+ and Relative Abundances in the EI Mass Spectrum of N‑(2-Furylmethyl)ani... by Vallejo Narváez, Wilmer E, Bacca Villota, Paula V, Solano Espinoza, Eduardo A

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Lithium complexes of doped phosphorene nanoflakes with aluminum, silicon and sulfur by Vera de la Garza, Cesar Gabriel, Solís Rodríguez, Luis Daniel, Fomine, Serguei, Vallejo Narváez, Wilmer E.

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The CO2 Reduction Reaction Mechanism on Silicene Nanoflakes. A Theoretical Perspective by Vallejo Narváez, Wilmer E., Garza, Cesar Gabriel Vera, Rodríguez, Luis Daniel Solís, Fomine, Serguei

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Bifunctional squaramides with benzyl-like fragments: analysis of CH⋯π interactions by a multivariate linear regression model and quantum chemical topology by Díaz-Salazar, Howard, Jiménez, Eddy I, Vallejo Narváez, Wilmer E, Rocha-Rinza, Tomás, Hernández-Rodríguez, Marcos

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Simple method to estimate relative hydrogen bond basicities of amides and imides in chloroform by Vallejo Narváez, Wilmer E., Jiménez, Eddy I., Hernández-Rodríguez, Marcos, Rocha-Rinza, Tomás

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Experimental and Computational Elucidation of the Li2MnO3‑Mediated Mechanism for CO Oxidation-Capture by Hernández-Fontes, Carlos, Vallejo Narváez, Wilmer E., Pfeiffer, Heriberto, Fomine, Serguei

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Experimental and Computational Elucidation of the Li 2 MnO 3 -Mediated Mechanism for CO Oxidation-Capture by Hernández-Fontes, Carlos, Vallejo Narváez, Wilmer E., Pfeiffer, Heriberto, Fomine, Serguei

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