J. Chem. Phys. · 2025

Specialized modification to the G4 composite method for computing formation enthalpies of nitrophenyl and nitrogen-heterocycle organic compounds

D. Ochoa-Resendiz, J. M. Solano-Altamirano, J. Sandoval-Lira, J. M. Hernández-Pérez.

Computing formation enthalpies of nitrophenyl and nitrogen-heterocycle organic compounds using a specialized modification of the G4 composite method.

IF: 3.1 DOI

Thermochim. Acta · 2025

The thermochemical properties of 2- and 3-Thiophenemethanol: eluding incomplete combustion issues through combining experimental and computational methodologies

F. Ramos, D. Ochoa-Resendiz, E. A. Camarillo, J. M. Hernández-Pérez, H. Flores, J. M. Solano-Altamirano.

Combining experimental calorimetry and ab initio methods to determine thermochemical properties of thiophenemethanol isomers.

IF: 3.1 DOI

Phys. Chem. Chem. Phys. · 2025

Photodissociation dynamics of ethyl formate at 193 nm based on synchrotron radiation and ab initio calculations: hydrogen elimination and secondary dissociations

O. Domínguez-Flores, R. Navarro-Severiano, D. Ochoa-Resendiz, O. Quiroz-Cardoso, A. Rodríguez-Hernández, J. Porcayo-Calderón, F. J. Hernández-Campos, S.-H. Lee, R. Hernández-Lamoneda, A. Quinto-Hernández.

Synchrotron radiation and ab initio study of ethyl formate photodissociation at 193 nm — hydrogen elimination and secondary dissociation pathways.

IF: 2.9 View Article

J. Chem. Phys. · 2022

Halogen bonding and rotational disorder in chlorine clathrate hydrate cages

D. Ochoa-Resendiz, A. Gamboa-Suárez, R. Hernández-Lamoneda.

Ab initio characterization of halogen bonding and rotational disorder of Cl₂ inside clathrate hydrate cages.

IF: 3.1 DOI

ChemPhysChem · 2018

Halogen bonds in clathrate cages: a real space perspective

J. M. Guevara-Vela, D. Ochoa-Resendiz, R. Hernández-Lamoneda, A. Costales, Á. Martín-Peñas.

Real-space QTAIM analysis of halogen bonds formed by Cl₂ in clathrate hydrate cages.

IF: 3.52 DOI

J. Chem. Phys. · 2016

Evidence of halogen bonds in clathrate cages

D. Ochoa-Resendiz, F. A. Batista-Romero, R. Hernández-Lamoneda.

First computational evidence demonstrating halogen bonding interactions within clathrate cages, using high-level ab initio methods.

IF: 3.1 DOI