Henry Chermette

According to our database, Henry Chermette authored at least 9 papers between 1999 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2024

Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns.

Guillaume Hoffmann, Frédéric Guégan, Vanessa Labet, Laurent Joubert, Henry Chermette, Christophe Morell, Vincent Tognetti

J. Comput. Chem., July, 2024

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., May, 2024

2023

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

2022

Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday.

Peter Blaha, Henry Chermette

Comput., 2022

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

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

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

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, Ángel Martín Pendás, Eduard Matito, István Mayer, Alston J. Misquitta, Yirong Mo, Julien Pilmé, Paul L. A. Popelier, Martin Rahm, Eloy Ramos-Cordoba, Pedro Salvador, W. H. Eugen Schwarz, Shant Shahbazian, Bernard Silvi, Miquel Solà, Krzysztof Szalewicz, Vincent Tognetti, Frank Weinhold, Émilie-Laure Zins

J. Comput. Chem., 2019

1999

Chemical reactivity indexes in density functional theory.

Henry Chermette

J. Comput. Chem., 1999