Name masoud DarvishGanji Affiliation عضو هیئت علمی سایر دانشگاههای کشور Degree Website Email — JournalPaper Presentation FinishedProject Book ConferenceHoldings Speech Panel WorkShop TheorizingChair ResearchExcellence Innovation Publication ExecutiveActivity Thesis Sabbatical GrantAttraction Contribution IndustryVisit Art TitleJournal 1 Dependence of thermal diffusion factor of binary mixtures to the thermodynamic state by NEMD simulation Chemical Physics 2 First-principles vdW-DF investigation on the interaction between the oxazepam molecule and C60 fullerene Journal of Molecular Modeling 3 A comprehensive theoretical investigation about the bio-functionalization capability of single walled CNT, BNNT and SiCNT using DNA/RNA nucleobases Applied Surface Science 4 A theoretical investigation of the structural, electronic and UVevis absorption spectra of fullerene derivatives based on PC61B-NHCS compound MATERIALS CHEMISTRY AND PHYSICS 5 Enantioseparation performance of CNTs chiral selector for the separation of ibuprofem isomer a dispersion corrected DFT study Journal of Materials Chemistry B 6 Remediation of phenol-contaminated water by pristine and functionalized SWCNTs: Ab initio van der Waals DFT investigation DIAMOND AND RELATED MATERIALS 7 Tunable phenol remediation from wastewater using SWCNT-based, sub-nanometer porous membranes: reactive molecular dynamics simulations and DFT calculations Physical Chemistry Chemical Physics 8 Interactionbetweenfullerene-wheelednanocarandgoldsubstrate:A DFT study PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 9 Adsorption of TCDD moleculeon to CNT sand BNNTs :Abinitiovander Waalsdensity-functionalstudy PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES