Grid‐based algorithm to search critical points, in the electron density, accelerated by graphics processing units R Hernández‐Esparza, SM Mejía‐Chica, AD Zapata‐Escobar, ... Journal of Computational Chemistry 35 (31), 2272-2278, 2014 | 51 | 2014 |
Basis set effects on the Hartree–Fock description of confined many-electron atoms J Garza, JM Hernández-Pérez, JZ Ramírez, R Vargas Journal of Physics B: Atomic, Molecular and Optical Physics 45 (1), 015002, 2011 | 46 | 2011 |
The stabilizing role of the intramolecular C–H··· O hydrogen bond in cyclic amides derived from α-methylbenzylamine J Sandoval-Lira, L Fuentes, L Quintero, H Höpfl, JM Hernández-Pérez, ... The Journal of Organic Chemistry 80 (9), 4481-4490, 2015 | 34 | 2015 |
Amount of information present in the one-particle density matrix and the charge density JC Ramírez, JMH Pérez, RP Sagar, RO Esquivel, M Hô, VH Smith Physical Review A 58 (5), 3507, 1998 | 32 | 1998 |
DensToolKit: A comprehensive open-source package for analyzing the electron density and its derivative scalar and vector fields JM Solano-Altamirano, JM Hernández-Pérez Computer Physics Communications 196, 362-371, 2015 | 26 | 2015 |
Transition‐metal‐free deconstructive lactamization of piperidines J Romero‐Ibañez, S Cruz‐Gregorio, J Sandoval‐Lira, ... Angewandte Chemie 131 (26), 8959-8963, 2019 | 25 | 2019 |
Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π− π Interactions in the Solid State SA Cortes-Llamas, JM Hernández-Pérez, M Hô, MÁ Muñoz-Hernández Organometallics 25 (3), 588-595, 2006 | 25 | 2006 |
Photoinduced elimination in 2, 3-dihydro-2-tert-butyl-3-benzyl-4 (1H)-quinazolinone: Theoretical calculations and radical trapping using TEMPO derivatives FA Cabrera-Rivera, C Ortíz-Nava, J Escalante, JM Hernández-Pérez, ... Synlett 23 (07), 1057-1063, 2012 | 21 | 2012 |
Experimental and computational thermochemical study of benzofuran, benzothiophene and indole derivatives F Ramos, H Flores, A Rojas, JM Hernández-Pérez, EA Camarillo, ... the Journal of Chemical Thermodynamics 97, 297-306, 2016 | 20 | 2016 |
Homochiral l-prolinamido-sulfonamides and their use as organocatalysts in aldol reactions HR Cabrera, G Huelgas, JMH Pérez, PJ Walsh, R Somanathan, ... Tetrahedron: Asymmetry 26 (4), 163-172, 2015 | 19 | 2015 |
Experimental and computational thermochemistry of 3-and 4-nitrophthalic anhydride MA García-Castro, P Amador, JM Hernandez-Perez, AE Medina-Favela, ... The Journal of Physical Chemistry A 118 (21), 3820-3826, 2014 | 19 | 2014 |
Experimental and theoretical study of methyl n-hydroxybenzoates JM Ledo, H Flores, JM Solano-Altamirano, F Ramos, ... The Journal of Chemical Thermodynamics 124, 1-9, 2018 | 15 | 2018 |
The Intramolecular Hydrogen Bond N–H··· S in 2, 2′-Diaminodiphenyl Disulfide: Experimental and Computational Thermochemistry F Ramos, H Flores, JM Hernández-Pérez, J Sandoval-Lira, EA Camarillo The Journal of Physical Chemistry A 122 (1), 239-248, 2018 | 15 | 2018 |
Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach JM Ledo, H Flores, JM Hernández-Pérez, F Ramos, EA Camarillo, ... The Journal of Chemical Thermodynamics 116, 176-184, 2018 | 14 | 2018 |
Looking Inside the Intramolecular C− H∙∙∙ O Hydrogen Bond in Lactams Derived from α-Methylbenzylamine S Mejía, JM Hernández-Pérez, J Sandoval-Lira, F Sartillo-Piscil Molecules 22 (3), 361, 2017 | 14 | 2017 |
Benzocaine: A comprehensive thermochemical study JM Ledo, H Flores, VLS Freitas, JM Solano-Altamirano, ... The Journal of Chemical Thermodynamics 147, 106119, 2020 | 12 | 2020 |
β-Oxygen Effect in the Barton–McCombie Deoxygenation Reaction: Further Experimental and Theoretical Findings A Sanchez-Eleuterio, J Sandoval-Lira, J Garcia-Sanchez, ... The Journal of Organic Chemistry 78 (18), 9127-9136, 2013 | 11 | 2013 |
Radical 1, 4-phenyl migration favored by C− H⋯ O interaction. A theoretical investigation J Sandoval-Lira, JM Hernández-Pérez, F Sartillo-Piscil Tetrahedron Letters 53 (49), 6689-6693, 2012 | 11 | 2012 |
Thermochemical study of methyl n-methoxybenzoates: An experimental and computational approach H Flores, JM Ledo, EA Camarillo, JM Solano-Altamirano, ... Journal of Chemical & Engineering Data 64 (5), 1898-1908, 2019 | 10 | 2019 |
Standard enthalpies of formation of 2-aminobenzothiazoles in the crystalline phase by rotating-bomb combustion calorimetry EA Camarillo, J Mentado, H Flores, JM Hernández-Pérez The Journal of Chemical Thermodynamics 73, 269-273, 2014 | 10 | 2014 |