| Catalytic conversion of alcohols over alumina zirconia mixed oxides Reactivity and selectivity |
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| Linear free energy relationship for the anomeric effect MP2 DFT and ab initio study of 2-substituted-1 4-dioxanes |
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| Formation of gama-alumina nanorods in presence of alanine |
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| Conformational analysis and intramolecular/intermolecular interactions of N N -dibenzylideneethylenediamine derivatives |
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| Effects of vacuum and calcination temperature on the structure texture reactivity and selectivity of alumina Experimental and DFT studies |
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| Nanoscale surface study and reactions mechanism of 2-butanol over the gama-alumina (1 0 0) surface and nanochannel A DFT study |
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| Influence of B Ga and In impurities in the structure and electronic properties of alumina nanoball |
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| Influence of B Ga and In impurities in the structure and electronic properties of alumina nanoball |
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| DFT ab initio NMR and NBO analyses of Na-substituted hydrazino acetamides experimental VS theoretical values |
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| Theoretical studies on tautomerism of triazole derivatives in the gas phase and solution |
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| Dynamic 1H-NMR demonstration of anomeric effect and configurational analysis of N-2-(1 4-dioxane)-N -(p-methylbenzenesulfonyl)-O-(p-methylphenoxy) isourea |
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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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| p-Toluenesulfonic acid a useful and selective reagent for the oxidation of benzoins to benziles under solvent-free condition |
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| DFT and ab initio potential energy scan and hydrogen bond analysis of Na-substituted hydrazino acetamides characterization of the hydrazinoturn hydrogen bonding pattern |
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| DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2 4-dihydroxy benzoic acids |
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| Spectroscopic quantum chemical DFT/HF study and synthesis of 2.2.1 hept-2-en-2-amino-N-azatricyclo 3.2.1.02 4 octane |
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| DFT Ab initio and FT-IR studies of the structure of sulfonamide Triazenes |
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| theoretical studies on tautomerism of dihydropyrimidine tasutomers |
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| Insertion Reaction of Azidosulfonyl Azo Dye with Model Alicyclic and heterocyclic compounds |
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| Density functional theory study of intermolecular interactions of cyclic tetrazole dimers |
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