| ۲۱ | Silicon carbide nanotubes (SiCNTs) serving for catalytic decomposition of toxic diazomethane (DAZM) gas: a DFT study | Solimannejad M., Kamalinahad S., Shakerzadeh E. | Molecular Physics | 2018 |
| ۲۲ | Sensing performance of Cu-decorated Si<sub>12</sub>C<sub>12</sub> nanocage towards toxic cyanogen gas: A DFT study | Solimannejad M., Anjiraki A.K., Kamalinahad S. | Materials Research Express | 2017 |
| ۲۳ | Nonlinear Optical (NLO) Response of Si<sub>12</sub>C<sub>12</sub> Nanocage Decorated with Alkali Metals (M = Li, Na and K): A Theoretical Study | Solimannejad M., Rahimi R., Kamalinahad S. | Journal of Inorganic and Organometallic Polymers and Materials | 2017 |
| ۲۴ | Li<sub>n</sub>@B<sub>36</sub> (n = 1, 2) Nanosheet with Remarkable Electro-Optical Properties: A DFT Study | Solimannejad M., Kamalinahad S., Shakerzadeh E. | Journal of Electronic Materials | 2017 |
| ۲۵ | Selective detection of toxic cyanogen gas in the presence of O<sub>2</sub>, and H<sub>2</sub>O molecules using a AlN nanocluster | Solimannejad M., Kamalinahad S., Shakerzadeh E. | Physics Letters, Section A: General, Atomic and Solid State Physics | 2016 |
| ۲۶ | Sensing performance of Sc-doped B<sub>12</sub>N<sub>12</sub> nanocage for detecting toxic cyanogen gas: A computational study | Solimannejad M., Kamalinahad S., Shakerzadeh E. | Physical Chemistry Research | 2016 |
| ۲۷ | Nonlinear optical (NLO) response of pristine and functionalized dodecadehydrotribenzo[18]annulene ([18]DBA): A theoretical study | Kamalinahad S., Solimannejad M., Shakerzadeh E. | Bulletin of the Chemical Society of Japan | 2016 |
| ۲۸ | Sensing of ozone (O<sub>3</sub>) molecule via pristine singe-walled aluminum nitride nanotube: A DFT study | Kamalinahad S., Solimannejad M., Shakerzadeh E. | Superlattices and Microstructures | 2016 |
| ۲۹ | Adsorption of F<sup>-</sup>, Cl<sup>-</sup>, Li<sup>+</sup> and Na<sup>+</sup> on the exterior surface of mg<sub>12</sub>o<sub>12</sub> nanocage in the gas phase and water media: A DFT study | Solimannejad M., Jouypazadeh H., Kamalinahad S., Noormohammadbeigi M. | Physical Chemistry Research | 2016 |
| ۳۰ | Conformational analysis of topiramate and related anion in the solution and interaction between the most stable conformer of topiramate with active center of carbonic anhydrase enzyme | Ghiasi M., Kamalinahad S. | Journal of Carbohydrate Chemistry | 2015 |
| ۳۱ | Complexation of nanoscale enzyme inhibitor with carbonic anhydrase active center: A quantum mechanical approach | Ghiasi M., Kamalinahad S., Zahedi M. | Journal of Structural Chemistry | 2014 |
| ۳۲ | Carbonic anhydrase inhibitors: A quantum mechanical study of interaction between some antiepileptic drugs with active center of carbonic anhydrase enzyme | Ghiasi M., Kamalinahad S., Arabieh M., Zahedi M. | Computational and Theoretical Chemistry | 2012 |
