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Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints.

L. Merzoud, F. Guégan, H. Chermette, and C. Morell. J. Comput. Chem., 42 (19): 1364-1372 (2021)

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Madeleine Mary Henry

Michaela Karin Ingrid Henry

James Henry

David P Henry

Jürgen Henry

Other publications of authors with the same name

Nine questions on energy decomposition analysis.J. Andrés, P. Ayers, R. Boto, R. Carbó-Dorca, H. Chermette, J. Cioslowski, J. Contreras-Garcia, D. Cooper, G. Frenking, C. Gatti and 20 other author(s). J. Comput. Chem., 40 (26): 2248-2283 (2019)Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints.L. Merzoud, F. Guégan, H. Chermette, and C. Morell. J. Comput. Chem., 42 (19): 1364-1372 (2021)Coordination chemistry of Zn2+ with Sal(ph)en ligands: Tetrahedral coordination or penta-coordination? a DFT analysis.W. Lamine, S. Boughdiri, L. Christ, C. Morell, and H. Chermette. J. Comput. Chem., 40 (5): 717-725 (2019)Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday.P. Blaha, and H. Chermette. Comput., 10 (5): 78 (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.C. Sobhi, L. Merzoud, S. Bouasla, A. Nacereddine, C. Morell, and H. Chermette. J. Comput. Chem., 44 (12): 1208-1220 (2023)Chemical reactivity indexes in density functional theory.H. Chermette. J. Comput. Chem., 20 (1): 129-154 (1999)A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde.A. Nacereddine, L. Merzoud, C. Morell, and H. Chermette. J. Comput. Chem., 42 (18): 1296-1311 (2021)Predicting the activity of methoxyphenol derivatives antioxidants: II - Importance of the nature of the solvent on the mechanism, a DFT study.R. Khelifi, N. Latelli, Z. Charifi, C. Morell, and H. Chermette. J. Comput. Chem., 45 (12): 886-897 (May 2024)

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