Chemical reactivity indexes in density functional theory. - Henry Chermette (J. Comput. Chem., 1999)

Nine questions on energy decomposition analysis. - Juan Andrés; Paul W. Ayers; Roberto Álvarez Boto; Ramon Carbó-Dorca; Henry Chermette; Jerzy Cioslowski; Julia Contreras-Garcia; David L. Cooper; Gernot Frenking; Carlo Gatti; Farnaz Heidar-Zadeh; Laurent Joubert; et al. (J. Comput. Chem., 2019)

Coordination chemistry of Zn2+ with Sal(ph)en ligands: Tetrahedral coordination or penta-coordination? a DFT analysis. - Walid Lamine; Salima Boughdiri; Lorraine Christ; Christophe Morell; Henry Chermette (J. Comput. Chem., 2019)

Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints. - Lynda Merzoud; Frédéric Guégan; Henry Chermette; Christophe Morell (J. Comput. Chem., 2021)

A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde. - Abdelmalek Khorief Nacereddine; Lynda Merzoud; Christophe Morell; Henry Chermette (J. Comput. Chem., 2021)

Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday. - Peter Blaha; Henry Chermette (Comput., 2022)

Understanding the mechanism and regio- and stereo selectivity of [3 + 2] cycloaddition reactions between substituted azomethine ylide and 3, 3, 3-trifluoro-1-nitroprop-1-ene, within the molecular electron density theory. - Chafia Sobhi; Lynda Merzoud; Souad Bouasla; Abdelmalek Khorief Nacereddine; Christophe Morell; Henry Chermette (J. Comput. Chem., 2023)

Predicting the activity of methoxyphenol derivatives antioxidants: II - Importance of the nature of the solvent on the mechanism, a DFT study. - Roumaissa Khelifi; Nadjia Latelli; Zoulikha Charifi; Christophe Morell; Henry Chermette (J. Comput. Chem., 2024)

Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. - Guillaume Hoffmann 002; Frédéric Guégan; Vanessa Labet; Laurent Joubert; Henry Chermette; Christophe Morell; Vincent Tognetti (J. Comput. Chem., 2024)