henry chermette
Université Claude Bernard Lyon 1
H-index: 44
Europe-France
Top articles of henry chermette
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Synthesis, Characterisation, Hirshfeld surface analysis, Magnetic susceptibility, DFT calculations, pkCSM profile, and Biological activities of Novel mono‐, di‐, and … | European Journal of Inorganic Chemistry | Oussama Khaoua Soumia Mouffouk Noura Benbellat Samira Zeroual Stéphane Golhen | 2024 |
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 | Roumaissa Khelifi Nadjia Latelli Zoulikha Charifi Christophe Morell Henry Chermette | 2024/5/5 |
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns | Journal of Computational Chemistry | Guillaume Hoffmann Frédéric Guégan Vanessa Labet Laurent Joubert Henry Chermette | 2024/4/5 |
Unveiling the mechanism and regioselectivity of the [3+ 2] cycloaddition reaction between N-methylphenylnitrone and 1-sulphonyl-1-trifluoromethylallene. A MEDT study | Molecular Physics | Samia Messikh Chafia Sobhi Najran Malfi Wassila Yahia Hanifa Chouit | 2024/2/1 |
Zwitterionic bifunctional stable zinc complexes as single catalysts for the valorization of CO2 into cyclic carbonates | Molecular Catalysis | Miguel Alonso de la Peña Lynda Merzoud Dominik Bussé-Côté Alain Tuel Christophe Morell | 2024/1/15 |
DFT and Docking Calculations of the Structural, Electronic, Biological and Conductivity Properties of the Synthetic Complex [Cu(hfac)2(L)2][PF6]2 | ChemistrySelect | Saliha Belhouchat Samira Zeroual Noura Benbellat Oussama Khaoua Saad Bouchekioua | 2024/1/8 |
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 … | Journal of Computational Chemistry | Chafia Sobhi Lynda Merzoud Souad Bouasla Abdelmalek Khorief Nacereddine Christophe Morell | 2023/5/5 |
Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation | New Journal of Chemistry | Dalila Kamli Douniazed Hannachi Djamila Samsar Henry Chermette | 2023 |
DFT study of the condensation products of 2-chloro-3-formylquinolines with o-aminophenol, o-aminothiophenol and o-phenylenediamine | Theoretical Chemistry Accounts | Nabila Benabila Hafida Merouani Nadjia Latelli Abd Alghani May Christophe Morell | 2023/11 |
Combined experimental, computational studies (synthesis, crystal structural, DFT calculations, spectral analysis) and biological evaluation of the new homonuclear complex Di-µ … | Journal of Molecular Structure | Oussama Khaoua Noura Benbellat Samira Zeroual Soumia Mouffouk Stéphane Golhen | 2023/2/5 |
Insight into the Varying Reactivity of Different Catalysts for CO2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study | International Journal of Molecular Sciences | Angelo Pio Sebaaly Hugo Dias Lorraine Christ Lynda Merzoud Henry Chermette | 2023/1/20 |
Finishing (off) the Klopman–Salem model: the importance of density polarization energy | Theoretical Chemistry Accounts | Frédéric Guégan Yanis Abid-Charef Guillaume Hoffmann Henry Chermette Christophe Morell | 2023/10 |
The effect of resonance-assisted hydrogen bond on the second-order nonlinear optical properties of pyridine hydrazone photoswitches: a quantum chemistry investigation | New Journal of Chemistry | Douniazed Hannachi Noureddine Khelfaoui Meriem Zaidi Diha Yahiaoui Salima Lakehal | 2023 |
Structure-reactivity link of imidazole derivatives as catalysts for cycloaddition of CO2 to styrene oxide | H Dias A Pio Sebaaly L Christ A Tuel H Chermette | 2023/6/26 | |
Journée de printemps SCF Rhône-Alpes | H Dias L Christ A Tuel H Chermette C Morell | 2023/6/1 | |
Degradation by hydrolysis of three triphenylmethane dyes: DFT and TD-DFT study | Theoretical Chemistry Accounts | Djamel Taharchaouche Nadjia Latelli Hafida Merouani Boussebbat Wahiba Naima Mechehoud | 2023/1 |
Reactivity and a Charge-Transfer Model Analysis in Aminopolycarboxylic–Metal Complexes | Inorganic Chemistry | Nawel Redjem Salima Lakehal Aicha Lakehal Christophe Morell Lynda Merzoud | 2022/3/7 |
Conceptual DFT and Excited States | Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory | Frédéric Guégan Lynda Merzoud Henry Chermette Christophe Morell | 2022/6/7 |
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science | Andrew M Teale Trygve Helgaker Andreas Savin Carlo Adamo Bálint Aradi | 2022 | |
Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday | Peter Blaha Henry Chermette | 2022/5/23 |
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