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DFT and MP2 Study of Intermolecular Interaction of 5‐Aminotetrazole and Hydrazine: Enthalpy of Formation of Hydrazinium 5‐Aminotetrazolate in the Gas Phase |
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Theoretical studies on the reactivity of thiazole derivatives |
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Tautomerism and mechanism of intramolecular proton transfer under the gas phase and micro-hydrated solvent conditions: biuret as a case study |
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Tautomerism and mechanism of intramolecular proton transfer under the gas phase and micro-hydrated solvent conditions: biuret as a case study |
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Characterization and catalytic properties of molybdenum oxide catalysts supported on ZrO 2–γ-Al 2 O 3 for ammoxidation of toluene |
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A periodic density functional theory study of tetrazole adsorption on anatase surfaces: potential application of tetrazole rings in dye-sensitized solar cells |
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Synthesis, Characterization and Application of Various Types of Alumina and nano-γ-alumina Sulfuric Acid for the Synthesis of 2, 5-disubstituted 1, 3, 4-oxadiazoles. |
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Theoretical study on structure, conformation, stability and electronic transition of C4 and C5 anions of ascorbic acid stereoisomers |
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A complete scheme of tautomerism on diacetyl monoxime in the gas and solution phases. A comparative DFT study between B3LYP and M06-2X functionals |
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Anti-inflammatory drugs interacting with Zn (II) metal ion based on thiocyanate and azide ligands: Synthesis, spectroscopic studies, DFT calculations and antibacterial assays |
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