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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
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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 Density Theory
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New 1,2,3-Triazoles from (R)-Carvone: Synthesis, DFT Mechanistic Study and In Vitro Cytotoxic Evaluation
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Activation of the Disulfide Bond and Chalcogen-Chalcogen Interactions: An Experimental (FTICR) and Computational Study
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Published in Chemistry : a European journal (01.01.2007)
Published in Chemistry : a European journal (01.01.2007)
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Investigating novel thiazolyl-indazole derivatives as scaffolds for SARS-CoV-2 M Pro inhibitors
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Published in European journal of medicinal chemistry reports (01.04.2022)
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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
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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
Tipping, Anthony E, Jimenez, Pilar, Ballesteros, Emilio, Abboud, Jose-Luis M, Yanez, Manuel, Esseffar, M'hamed, Elguero, Jose
Published in Journal of organic chemistry (01.03.1994)
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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
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Activation of the Disulfide Bond and Chalcogen-Chalcogen Interactions: An Experimental (FTICR) and Computational Study
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Published in Chemistry : a European journal (07.01.2008)
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Published in Journal of physical organic chemistry (01.06.2005)
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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 of all the structures included in Fig. 1 and the corresponding TS. See http://www.rsc.org/suppdata/nj/b1/b109397e
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Published in New journal of chemistry (07.06.2002)
Published in New journal of chemistry (07.06.2002)
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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
Jalal, R, El Messaoudi, M, Hasnaoui, A, Esseffar, M, Selkti, M, Lavergne, JP, Compain, P
Published in New journal of chemistry (30.10.2002)
Published in New journal of chemistry (30.10.2002)
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