Articles

Title DOI Year Month type
Molecular design of carbazole-based dyes and the influence of alkyl substituent on the performance of dye-sensitized solar cells NULL 1395 03 Journal
Density Functional Theory of Tautomerism and Water-Assisted Proton Transfer of Glycoluril1 NULL 1395 02 Journal
Adsorption of some important tautomers of 5-amino tetrazole on the (001) and (101) surfaces of anatase Theoretical study NULL 1395 01 Journal
Production of 5-hydroxymethylfurfural from fructose using a spherically fibrous KCC-1 silica catalyst NULL 1395 01 Journal
Theoretical Studies on the Adsorption of 5-Aminotetrazole on Single-walled Carbon Nanotubes NULL 1394 12 Journal
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 NULL 1394 12 Journal
A comparative MP2 study between water- and acid-assisted proton transfer allophanic acid as a case of study NULL 1394 12 Journal
A DFT approach for simple and solvent assisted-proton movement Biurea as a case of study NULL 1394 12 Journal
Enantiomeric discrimination of leucine enantiomers by nanotubular cyclic peptides DFT and ONIOM calculation of the absorption spectra of guested enantiomers NULL 1394 12 Journal
The catalytic conversion of fructose into 5-hydroxymethylfurfural over acid-functionalized KIT-6 an ordered mesoporous silica NULL 1394 11 Journal
Comparing the ion affinity of two ionophores Theoretical study of alkali earth metal ion nano tubular cyclic peptide complexes NULL 1394 11 Journal
Theoretical study of microhydrated cyclo(L-pro)4-alkali cation complexes NULL 1394 11 Journal
Amino-functionalized mesoporous silica as solid base catalyst for regioselective aza-Michael reaction of aryl tetrazoles NULL 1394 10 Journal
Application of amine-functionalized MCM-41 as pH-sensitive nano container for controlled release of 2-mercaptobenzoxazole corrosion inhibitor NULL 1394 10 Journal
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 NULL 1394 10 Journal
Selective Complexation of S-block Cations with Nanotubular Silk Type Cyclopeptides A DFT Study NULL 1394 09 Journal
New tetrazole-based organic dyes for dye-sensitized solar cells NULL 1394 08 Journal
Synthesis and characterization of organic dyes bearing new electron-withdrawing group for dye-sensitized solar cells NULL 1394 08 Journal
A DFT-D study on the interaction between lactic acid and single-wall carbon nanotubes NULL 1394 08 Journal
Preparation characterization degradation and biocompatibility of different silk fibroin based composite scaffolds prepared by freeze-drying method for tissue engineering application NULL 1394 07 Journal