Acidity and basicity interplay in amide and imide self–association WE Vallejo Narváez, EI Jiménez, E Romero-Montalvo, ... Chemical Science 9 (19), 4402 - 4413, 2018 | 36 | 2018 |
Bifunctional thioureas with α-trifluoromethyl or methyl groups: Comparison of catalytic performance in Michael additions EI Jiménez, WE Vallejo Narvaez, CA Román-Chavarría, ... The Journal of Organic Chemistry 81 (17), 7419-7431, 2016 | 31 | 2016 |
On the strength of hydrogen bonding within water clusters on the coordination limit VM Castor‐Villegas, JM Guevara‐Vela, WE Vallejo Narvaez, ... Journal of Computational Chemistry 41 (26), 2266-2277, 2020 | 29 | 2020 |
The bifunctional catalytic role of water clusters in the formation of acid rain E Romero-Montalvo, JM Guevara-Vela, WEV Narváez, A Costales, ... Chemical Communications 53 (25), 3516-3519, 2017 | 28 | 2017 |
Synthesis and characterization of organotin (IV) semiconductors and their applications in optoelectronics CR Monzon-Gonzalez, ME Sánchez-Vergara, WEV Narváez, ... Journal of Physics and Chemistry of Solids 150, 109840, 2021 | 14 | 2021 |
Stability of doubly and triply H-bonded complexes governed by acidity–basicity relationships WEV Narváez, EI Jiménez, M Cantú-Reyes, AK Yatsimirsky, ... Chemical Communications 55 (11), 1556-1559, 2019 | 14 | 2019 |
Design and application of a bifunctional organocatalyst guided by electron density topological analyses EI Jiménez, WEV Narváez, T Rocha-Rinza, M Hernández-Rodríguez Catalysis Science & Technology 7 (19), 4470-4477, 2017 | 13 | 2017 |
The effect of chiral N-substituents with methyl or trifluoromethyl groups on the catalytic performance of mono-and bifunctional thioureas J Vazquez-Chavez, S Luna-Morales, DA Cruz-Aguilar, H Díaz-Salazar, ... Organic & Biomolecular Chemistry 17 (47), 10045-10051, 2019 | 11 | 2019 |
Water clusters as bifunctional catalysts in organic chemistry: the hydrolysis of oxirane and its methyl derivatives A Sauza-de la Vega, H Salazar-Lozas, WEV Narváez, ... Organic & Biomolecular Chemistry 19 (31), 6776-6780, 2021 | 10 | 2021 |
Bifunctional squaramides with benzyl-like fragments: analysis of CH⋯ π interactions by a multivariate linear regression model and quantum chemical topology H Díaz-Salazar, EI Jiménez, WEV Narváez, T Rocha-Rinza, ... Organic Chemistry Frontiers 8 (13), 3217-3227, 2021 | 8 | 2021 |
Density functional theory and RRKM calculations of decompositions of the metastable E‐2,4‐pentadienal molecular ions EA Solano Espinoza, WE Vallejo Narváez Journal of mass spectrometry 45 (7), 722-733, 2010 | 7 | 2010 |
Electronic Structure and Noncovalent Interactions within Ion–Radical Complexes of N-(2-Furylmethyl)aniline Molecular Ions WE Vallejo Narvaez, T Rocha-Rinza The Journal of Physical Chemistry A 119 (10), 2098-2110, 2015 | 6 | 2015 |
Relationships between DFT/RRKM Branching Ratios of the Complementary Fragment Ions [C5H5O]+ and [M – C5H5O]+ and Relative Abundances in the EI Mass Spectrum … WE Vallejo Narváez, PV Bacca Villota, EA Solano Espinoza The Journal of Physical Chemistry A 116 (49), 12136-12147, 2012 | 6 | 2012 |
Density functional theory and RRKM calculations of the gas‐phase unimolecular rearrangements of methylfuran and pyran ions before fragmentations EA Solano Espinoza, WE Vallejo Narvaez Journal of mass spectrometry 44 (10), 1452-1458, 2009 | 6 | 2009 |
Novel 2D allotropic forms and nanoflakes of silicon, phosphorus, and germanium: a computational study CGV de la Garza, WEV Narváez, LDS Rodríguez, S Fomine Journal of Molecular Modeling 27 (5), 142, 2021 | 4 | 2021 |
Synthesis and photophysical properties of conformationally restricted difluoroboron β-diketonate complexes of 1-indanone derivatives CR Monzón-González, R Corona-Sánchez, WEV Narváez, ... Tetrahedron 76 (38), 131457, 2020 | 4 | 2020 |
Lithium complexes of doped phosphorene nanoflakes with aluminum, silicon and sulfur CGV de la Garza, LDS Rodríguez, S Fomine, WEV Narváez Computational and Theoretical Chemistry 1209, 113599, 2022 | 3 | 2022 |
In silico modeling: electronic properties of phosphorene monoflakes and biflakes substituted with Al, Si, and S heteroatoms CGV de la Garza, LDS Rodriguez, S Fomine, WE Vallejo Narváez Journal of Molecular Modeling 27, 1-10, 2021 | 3 | 2021 |
The electronic structure of Van der Waals heterostructures formed by the nanoflakes of black phosphorene with those of graphene and haeckelites: their complexes with Li WEV Narváez, LDS Rodríguez, CGV de la Garza, L Fomina, S Fomine Journal of Molecular Modeling 26, 1-11, 2020 | 3 | 2020 |
Simple method to estimate relative hydrogen bond basicities of amides and imides in chloroform WEV Narváez, EI Jiménez, M Hernández-Rodríguez, T Rocha-Rinza Journal of Molecular Structure 1173, 608-611, 2018 | 3 | 2018 |