A theoretical study of the structural and electronic properties of trans and cis structures of chlorprothixene as a nano-drug von Bagheri Novir, Samaneh

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Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19 von Bagheri Novir, Samaneh, Aram, Mohammad Reza

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Computational investigation of low band gap dyes based on 2-styryl-5-phenylazo-pyrrole for dye-sensitized solar cells von Bagheri Novir, Samaneh, Hashemianzadeh, Seyed Majid

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Density functional theory study of structural and electronic properties of trans and cis structures of thiothixene as a nano-drug von Noori Tahneh, Akram, Bagheri Novir, Samaneh, Balali, Ebrahim

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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- dope... von Bagheri Novir, Samaneh, Aram, Mohammad Reza

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Density functional theory study of new azo dyes with different π-spacers for dye-sensitized solar cells von Bagheri Novir, Samaneh, Hashemianzadeh, Seyed Majid

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Theoretical study of Z- and E-isomers of some hemithioindigo-based peptide-switches von Bagheri Novir, Samaneh

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Quantum study of DHA, DPA and EPA anticancer fatty acids for microscopic explanation of their biological functions von Bagheri Novir, Samaneh, Tirandaz, Arash, Lotfipour, Hoda

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Quantum mechanical investigations of mechanical and thermodynamic properties of SiC and ZrO2 ceramics von Novir, Samaneh Bagheri, Aram, Mohammad Reza

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A quantum study on novel azo-dyes containing a fullerene C60 unit as a smart material for optoelectronic applications von Bagheri Novir, Samaneh, Aram, Mohammad Reza

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Quantum chemical investigation of structural and electronic properties of trans- and cis-structures of some azo dyes for dye-sensitized solar cells von Bagheri Novir, Samaneh, Hashemianzadeh, Seyed Majid

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Computational investigation of structural and electronic properties of cis and trans structures of fluvoxamine as a nano-drug von Dadkhah, Samad, Bagheri Novir, Samaneh, Balali, Ebrahim

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A DFT study of O2 and Cl2 adsorption onto Al12N12 fullerene‐like nanocluster von Shokuhi Rad, Ali, Bagheri Novir, Samaneh, Mohseni, Soheil, Ramezani Cherati, Nadia, Mirabi, Ali

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DFT and TDDFT study of some bifunctional hemithioindigo chromophores von Novir, Samaneh Bagheri

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The polythiophene molecular segment as a sensor model for H2O, HCN, NH3, SO3, and H2S: a density functional theory study von Shokuhi Rad, Ali, Esfahanian, Mehri, Ganjian, Etesam, Tayebi, Habib-allah, Novir, Samaneh Bagheri

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A DFT study of O 2 and Cl 2 adsorption onto Al 12 N 12 fullerene‐like nanocluster von Shokuhi Rad, Ali, Bagheri Novir, Samaneh, Mohseni, Soheil, Ramezani Cherati, Nadia, Mirabi, Ali

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