Samaneh Bagheri Novir

Density functional theory study of new azo dyes with different π-spacers for dye-sensitized solar cells

Samaneh Bagheri Novir, Seyed Majid Hashemianzadeh · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 76 citations

Materials Science, Engineering, Photochemistry +12

Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19

Samaneh Bagheri Novir, Mohammad Reza Aram · Chemical Physics Letters · 2020 · 75 citations · Full text

Quantum Mechanical Simulation, Natural Sciences, Fullerene +7

Computational investigation of low band gap dyes based on 2-styryl-5-phenylazo-pyrrole for dye-sensitized solar cells

Samaneh Bagheri Novir, Seyed Majid Hashemianzadeh · Current Applied Physics · 2014 · 31 citations

Materials Science, Organic Charge-transfer Compound, Engineering +10

Quantum mechanical studies of the adsorption of Remdesivir, as an effective drug for treatment of COVID-19, on the surface of pristine, COOH-functionalized and S-, Si- and Al- doped carbon nanotubes

Samaneh Bagheri Novir, Mohammad Reza Aram · Physica E Low-dimensional Systems and Nanostructures · 2021 · 25 citations · Full text

Materials Science, Nanomedicine, Chemical Engineering +12

The polythiophene molecular segment as a sensor model for H2O, HCN, NH3, SO3, and H2S: a density functional theory study

Ali Shokuhi Rad, Mehri Esfahanian, Etesam Ganjian et al. · Journal of Molecular Modeling · 2016 · 22 citations

Engineering, Natural Sciences, Organic Semiconductor +9