Diastereoselective synthesis and cytotoxic evaluation of new isoxazoles and pyrazoles with monoterpenic skeleton von Oubella, Ali, Ait Itto, My Youssef, Auhmani, Aziz, Riahi, Abdelkhalek, Robert, Anthony, Daran, Jean-Claude, Morjani, Hamid, Parish, Carol A., Esseffar, M'hamed

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A Computational Study of the Reactivity of 3,5-(Oxo/Thioxo) Derivatives of 2,7-Dimethyl-1,2,4-Triazepines. Keto–Enol Tautomerization and Potential for Hydrogen Storage von Esseffar, M’hamed, Parish, Carol A, Jalal, R, Lamsabhi, Al Mokhtar

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Investigating novel thiazolyl-indazole derivatives as scaffolds for SARS-CoV-2 MPro inhibitors von Airas, Justin, Bayas, Catherine A., N'Ait Ousidi, Abdellah, Ait Itto, Moulay Youssef, Auhmani, Aziz, Loubidi, Mohamed, Esseffar, M'hamed, Pollock, Julie A., Parish, Carol A.

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Unveiling the Different Chemical Reactivity of Diphenyl Nitrilimine and Phenyl Nitrile Oxide in [3+2] Cycloaddition Reactions with (R)-Carvone through the Molecular Electron Densit... von Rios-Gutierrez, Mar, Domingo, Luis R., Esseffar, M'hamed, Oubella, Ali, Itto, My Youssef Ait

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New 1,2,3-Triazoles from (R)-Carvone: Synthesis, DFT Mechanistic Study and In Vitro Cytotoxic Evaluation von Oubella, Ali, Bimoussa, Abdoullah, N'ait Oussidi, Abdellah, Fawzi, Mourad, Auhmani, Aziz, Morjani, Hamid, Riahi, Abdelkhalek, Esseffar, M'hamed, Parish, Carol, Ait Itto, Moulay Youssef

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A DFT study of the domino reactions between imidazole NHC, ketenimines and DMAD or MP acetylene derivatives yielding spiro-pyrroles von Esseffar, M’hamed, Jalal, Rachid, Aurell, M. José, Domingo, Luis R.

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A DFT study of the role of Lewis acid catalysts in the mechanism of the 1,3-dipolar cycloaddition of nitrile imines towards electron-deficient acryloyl derivatives von Domingo, Luis R., José Aurell, M., Jalal, Rachid, Esseffar, M’hamed

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Activation of the Disulfide Bond and Chalcogen-Chalcogen Interactions: An Experimental (FTICR) and Computational Study von Esseffar, M'Hamed, Herrero, Rebeca, Quintanilla, Esther, Dávalos, Juan Z., Jiménez, Pilar, Abboud, José-Luis M., Yáñez, Manuel, Mó, Otilia

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Investigating novel thiazolyl-indazole derivatives as scaffolds for SARS-CoV-2 M Pro inhibitors von Airas, Justin, Bayas, Catherine A, N'Ait Ousidi, Abdellah, Ait Itto, Moulay Youssef, Auhmani, Aziz, Loubidi, Mohamed, Esseffar, M'hamed, Pollock, Julie A, Parish, Carol A

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Experimental and theoretical study on 3,5-(oxo/thioxo) derivatives of 2,7-dimethyl-1,2,4-triazepines-iodine molecular complexes von Esseffar, M'Hamed, El Messaoudi, Malika, Bouab, Widad

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A DFT study of the role of the Mg complex formation on the mechanism of the 1,3-dipolar cycloadditions of benzonitrile oxides with acryloylpyrazolidinone von Domingo, Luis R., Aurell, M. José, Jalal, Rachid, Esseffar, M’hamed

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Structure, Basicity, and Thermodynamic Properties of 3,5-Bis(trifluoromethyl)-1,2,4-triazole with Regard to 1,2,4-Triazole: The Trifluoromethylation Effect von Tipping, Anthony E, Jimenez, Pilar, Ballesteros, Emilio, Abboud, Jose-Luis M, Yanez, Manuel, Esseffar, M'hamed, Elguero, Jose

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Theoretical study of H3AXH3 and H3AYH2 (A=B, Al, Ga; X=N, P, As and Y=O, S, and Se), electrostatic and hyperconjugative interactions roles von El Guerraze, Abdelaâli, El-Nahas, Ahmed M., Jarid, Abdellah, Serrar, Chafiq, Anane, Hafid, Esseffar, M’hamed

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Activation of the Disulfide Bond and Chalcogen-Chalcogen Interactions: An Experimental (FTICR) and Computational Study von Esseffar, M'Hamed, Herrero, Rebeca, Quintanilla, Esther, Dávalos, Juan Z., Jiménez, Pilar, Abboud, José-Luis M., Yáñez, Manuel, Mó, Otilia

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Experimental and theoretical push-pull Chemo- and regioselectivity in 1,3-Dipolar cycloaddition reactions: the case of benzotriazepin-5-one with mesitylnitrile oxide von Azzouzi, Saida, Jalal, Rachid, El Messaoudi, Malika, Domingo, Luis R., Esseffar, M'hamed, Aurell, M. José

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High chemoselectivity of CS dipolarophile in 1,3‐dipolar cycloaddition of nitrilimines and 1,2,4‐triazepin‐5‐one derivatives: experimental, theoretical and X‐ray study von Azzouzi, Saida, El Messaoudi, Malika, Esseffar, M'hamed, Jalal, Rachid, Cano, Félix H., del Carmen Apreda‐Rojas, María, Domingo, Luis R.

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Synthesis of a novel heterocyclic ring system by way of highly regio- and chemoselective 1,3-dipolar cycloaddition of nitrilimines to 1,3,4-benzotriazepin-5-one derivatives von Jalal, Rachid, El Messaoudi, Malika, Hasnaoui, A??ssa, Esseffar, M'hamed, Selkti, Mohamed, Lavergne, Jean-Pierre, Compain, Philippe

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Nitro derivatives of pyrrole, furan and 1H-tetrazole: ring or nitro bases? von Esseffar, M'hamed, Quintanilla, Ester, Dávalos, Juan Z., Abboud, José Luis M., Mó, Otilia, Yáñez, Manuel

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Basicity of some carbonyl compounds towards iodine monochloride: experimental and theoretical study von Mokhtar Lamsabhi, Al, Bouab, Widad, Esseffar, M'hamed, Alcamí, Manuel, Yáñez, Manuel, Abboud, Jose-Luis M.

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Prototropic tautomerism of 3,5-(oxo/thioxo) derivatives of 2,7-dimethyl-1,2,4-triazepinesElectronic supplementary information (ESI) available: the B3LYP/6-31G optimized geometries... von Mokhtar Lamsabhi, Al, El Messaoudi, Touria, Esseffar, M'hamed, Alcamí, Manuel, Yáñez, Manuel

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