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Molecular design of carbazole-based dyes and the influence of alkyl substituent on the performance of dye-sensitized solar cells
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Density Functional Theory of Tautomerism and Water-Assisted Proton Transfer of Glycoluril1
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Adsorption of some important tautomers of 5-amino tetrazole on the (001) and (101) surfaces of anatase Theoretical study
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Production of 5-hydroxymethylfurfural from fructose using a spherically fibrous KCC-1 silica catalyst
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Theoretical Studies on the Adsorption of 5-Aminotetrazole on Single-walled Carbon Nanotubes
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Enantiomeric discrimination of leucine enantiomers by nanotubular cyclic peptides DFT and ONIOM calculation of the absorption spectra of guested enantiomers
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A comparative MP2 study between water- and acid-assisted proton transfer allophanic acid as a case of study
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One pot synthesis of ethyl 3 aryl 2 (1H tetrazol 5 yl) acrylates and 3 (1H tetrazol 5 yl) coumarins via tandem 2 3 dipolar cycloaddition reaction Knoevenagel condensation
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A DFT approach for simple and solvent assisted-proton movement Biurea as a case of study
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The catalytic conversion of fructose into 5-hydroxymethylfurfural over acid-functionalized KIT-6 an ordered mesoporous silica
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Theoretical study of microhydrated cyclo(L-pro)4-alkali cation complexes
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Comparing the ion affinity of two ionophores Theoretical study of alkali earth metal ion nano tubular cyclic peptide complexes
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Application of amine-functionalized MCM-41 as pH-sensitive nano container for controlled release of 2-mercaptobenzoxazole corrosion inhibitor
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Amino-functionalized mesoporous silica as solid base catalyst for regioselective aza-Michael reaction of aryl tetrazoles
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The effect of deformation and intermolecular interaction on the absorption spectrum of 5-aminotetrazole and hydrazine A computational molecular spectroscopy study on hydrazinium 5-aminotetrazolate
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Selective Complexation of S-block Cations with Nanotubular Silk Type Cyclopeptides A DFT Study
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A DFT-D study on the interaction between lactic acid and single-wall carbon nanotubes
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Synthesis and characterization of organic dyes bearing new electron-withdrawing group for dye-sensitized solar cells
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New tetrazole-based organic dyes for dye-sensitized solar cells
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Preparation characterization degradation and biocompatibility of different silk fibroin based composite scaffolds prepared by freeze-drying method for tissue engineering application
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