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Journal of Molecular Modeling|December 10, 2021
Selective adsorption and dissociation of NO, NO2, and N2O molecules on Si-doped haeckelite boron nitride nanotube: an investigation for sensitive molecular sensors and catalystsAkbar Hassanpour, Maedeh Kamel, Saeideh Ebrahimiasl, et al.Journal of Molecular Graphics & Modelling|October 28, 2025
First-principles study of toxic industrial gases adsorption on magnesium (4,4)-Porphyrin nanoballs: Electronic structure, dipole moment modulation, and high-sensitivity gas sensing performanceAmirhassan Moallem, Sattar Arshadi, Mohammad Reza Sarmasti Emami, et al.RSC Advances|June 15, 2022
Strategies for the direct oxidative esterification of thiols with alcoholsManzarbanou Asnaashariisfahani, Bayan Azizi, Mohammad Reza Poor Heravi, et al.Journal of Molecular Graphics & Modelling|March 6, 2025
The computational density functional theory (DFT) investigating the CO gas adsorption on magnesium porphyrin nanorings (Mg4@PNR4)Sattar Arshadi, Farnaz Behmagham, Qusay Husam Aziz, et al.Journal of Molecular Graphics & Modelling|December 3, 2022
Adsorption of O2 molecule on the transition metals (TM(II) = Sc2+, Ti2+, V2+, Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+ and Zn2+) porphyrins induced carbon nanocone (TM(II)PCNC)Mohamood Khalif, Shahla Daneshmehr, Sattar Arshadi, et al.Journal of Molecular Graphics & Modelling|May 5, 2023
Metalloporphyrin reduced C70 fullerenes as adsorbents and detectors of ethenone; A DFT, NBO, and TD-DFT studyHamidreza Jouypazadeh, Sattar Arshadi, Bernardo Cespedes Panduro, et al.RSC Advances|May 16, 2024
Recent trends in incorporation of CO2 into organosulfur compounds via C-S bond cleavageRahadian Zainul, Media Noori Abdullah, Shakir Mahmood Saeed, et al.RSC Advances|May 9, 2024
Advancements in double decarboxylative coupling reactions of carboxylic acidsFarnaz Behmagham, Maha Mohammed Tawfiq, Mohammad Reza Poor Heravi, et al.Pageof 2