Henry Chermette (H Chermette)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 23

Top Topics

Electron Transfer

Density Functional Theory

Crystal Structure

Top Venues

Journal of computational chemistry

International journal of molecular sciences

The journal of physical chemistry. A

Journal of molecular modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Guillaume Hoffmann, Frédéric Guegan, Vanessa Labet, Laurent Joubert, Henry Chermette, Christophe Morell, Vincent Tognetti
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. Journal of computational chemistry 45 (20) (2024)
Guillaume Hoffmann, Frédéric Guegan, Vanessa Labet, Laurent Joubert, Henry Chermette, Christophe Morell, Vincent Tognetti
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. Journal of computational chemistry (2024)
Guillaume Hoffmann, Henry Chermette, Christophe Morell
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach. Journal of molecular modeling 30 (7) (2024)
Guillaume Hoffmann, Henry Chermette, Christophe Morell
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach. Journal of molecular modeling 30 (7) (2024)
Chafia Sobhi, Lynda Merzoud, Souad Bouasla, Abdelmalek Khorief Nacereddine, Christophe Morell, Henry Chermette
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. Journal of computational chemistry 44 (12) (2023)
Roumaissa Khelifi, Nadjia Latelli, Zoulikha Charifi, Christophe Morell, Henry Chermette
Predicting the activity of methoxyphenol derivatives antioxidants: II-Importance of the nature of the solvent on the mechanism, a DFT study. Journal of computational chemistry (2023)
Chafia Sobhi, Lynda Merzoud, Souad Bouasla, Abdelmalek Khorief Nacereddine, Christophe Morell, Henry Chermette
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. Journal of computational chemistry (2023)
Angelo Pio Sebaaly, Hugo Dias, Lorraine Christ, Lynda Merzoud, Henry Chermette, Guillaume Hoffmann, Christophe Morell
Insight into the Varying Reactivity of Different Catalysts for CO 2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study. International journal of molecular sciences 24 (3) (2023)
Angelo Pio Sebaaly, Hugo Dias, Lorraine Christ, Lynda Merzoud, Henry Chermette, Guillaume Hoffmann, Christophe Morell
Insight into the Varying Reactivity of Different Catalysts for CO 2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study. International journal of molecular sciences 24 (3) (2023)
Roumaissa Khelifi, Nadjia Latelli, Zoulikha Charifi, Christophe Morell, Henry Chermette
Predicting the activity of methoxyphenol derivatives antioxidants: II-Importance of the nature of the solvent on the mechanism, a DFT study. Journal of computational chemistry 45 (12) (2023)
Angelo Pio Sebaaly, Hugo Dias, Lorraine Christ, Lynda Merzoud, Henry Chermette, Guillaume Hoffmann, Christophe Morell
Insight into the Varying Reactivity of Different Catalysts for CO 2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study. International journal of molecular sciences 24 (3) (2023)
Nawel Redjem, Salima Lakehal, Aicha Lakehal, Christophe Morell, Lynda Merzoud, Henry Chermette
Reactivity and a Charge-Transfer Model Analysis in Aminopolycarboxylic-Metal Complexes. Inorganic chemistry 61 (11) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Lynda Merzoud, Frédéric Guegan, Henry Chermette, Christophe Morell
Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints. Journal of computational chemistry 42 (19) (2021)
Abdelmalek Khorief Nacereddine, Lynda Merzoud, Christophe Morell, Henry Chermette
A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde. Journal of computational chemistry 42 (18) (2021)
Meriem Zaidi, Douniazed Hannachi, Henry Chermette
Correlation between Second Ionization Potential and Nonlinear Optical Properties of Bivalent Transition-Metal Complexes: A Quantum Chemical Study. Inorganic chemistry 60 (9) (2021)
Sébastien Menant, Frédéric Guegan, Vincent Tognetti, Lynda Merzoud, Laurent Joubert, Henry Chermette, Christophe Morell
Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon-Halogen Bonds. Molecules (Basel, Switzerland) 26 (20) (2021)
Éric Brémond, Vincent Tognetti, Henry Chermette, Juan Carlos Sancho-García, Laurent Joubert, Carlo Adamo
Electronic Energy and Local Property Errors at QTAIM Critical Points while Climbing Perdew's Ladder of Density-Functional Approximations. Journal of chemical theory and computation 18 (1) (2021)
F Guégan, T Pigeon, F De Proft, Vincent Tognetti, L Joubert, Henry Chermette, Paul W Ayers, D Luneau, Christophe Morell
Understanding Chemical Selectivity through Well Selected Excited States. The journal of physical chemistry. A 124 (4) (2020)
Harry Ramanantoanina, Lynda Merzoud, Jules Tshishimbi Muya, Henry Chermette, Claude Daul
Electronic Structure and Photoluminescence Properties of Eu(η9-C9H9)2. The journal of physical chemistry. A 124 (1) (2019)
Lynda Merzoud, Amar Saal, Christophe Morell, Henry Chermette
Substituent Effect on the Himbert Intramolecular Arene/Allene Diels-Alder Reaction: NBO Analysis and State Specific Dual Descriptors. The journal of physical chemistry. A 123 (50) (2019)
Audrey Mazière, Anna Chrostowska, Clovis Darrigan, Alain Dargelos, Alain Graciaa, Henry Chermette
Electronic structure of BN-aromatics: Choice of reliable computational tools. The Journal of chemical physics 147 (16) (2018)
Walid Lamine, Salima Boughdiri, Erwan Jeanneau, Corinne Sanglar, Christophe Morell, Lorraine Christ, Henry Chermette
Unexpected Structure of a Helical N4 -Schiff-Base Zn(II) Complex and Its Demetallation: Experimental and Theoretical Studies. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (21) (2018)