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Density functional theory study of intermolecular interactions of cyclic tetrazole dimers |
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Synthesis, characterization, and DFT studies of a novel azo dye derived from racemic or optically active binaphthol |
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Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin |
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Spectroscopic, quantum chemical DFT/HF study and synthesis of [2.2. 1] hept-2′-en-2′-amino-< i> N</i>-azatricyclo [3.2. 1.0< sup> 2, 4</sup>] octane |
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Experimental and CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes |
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Rapid and efficient diazotization and diazo coupling reactions on silica sulfuric acid under solvent-free conditions |
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Synthesis, characterization, crystal structure, and theoretical studies on Schiff-base compound 6-[(5-Bromopyridin-2-yl) iminomethyl] phenol |
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Theoretical studies of hydrogen bond interactions in fluoroacetic acid dimer |
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Theoretical studies on tautomerism of triazole derivatives in the gas phase and solution |
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Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer |
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