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Physical Chemistry Chemical Physics : PCCP|December 15, 2025
B<sub>3</sub>C<sub>2</sub>N<sub>3</sub> monolayer with vacancy defects decorated with lithium as a potential hydrogen storage system: a DFT studyRezvan Rahimi, Mohammad Solimannejad, Yafei ZhangJournal of Molecular Modeling|May 29, 2020
The potential application of borazine (B<sub>3</sub>N<sub>3</sub>)-doped nanographene decorated with halides as anode materials for Li-ion batteries: a first-principles studyRezvan Rahimi, Mohammad SolimannejadPhysical Chemistry Chemical Physics : PCCP|September 27, 2024
Exploring the adsorption behavior of O-containing VOCs in human breath on a B<sub>2</sub>N monolayer using DFT simulationsRezvan Rahimi, Mohammad SolimannejadJournal of Molecular Modeling|November 8, 2021
First-principles studies on two-dimensional B<sub>3</sub>O<sub>3</sub> adsorbent as a potential drug delivery platform for TEPA anticancer drugRezvan Rahimi, Mohammad Solimannejad, Zeynab EhsanfarJournal of Hazardous Materials|August 14, 2020
Toxic volatile organic compounds sensing by Al<sub>2</sub>C monolayer: A first-principles outlookRezvan Rahimi, Mohammad Solimannejad, Ajay ChaudhariScientific Reports|November 26, 2024
DFT study of the adsorption properties and sensitivity of a B<sub>2</sub>N monolayer toward harmful gasesRezvan Rahimi, Mohammad Solimannejad, Ashkan HorriComputational Biology and Chemistry|May 23, 2025
In silico study of salicylic acid derivatives as inhibitors of Ebola proteins through molecular dockingRezvan Rahimi, Mohammad Solimannejad, Mohammad Hossein AbnosiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 19, 2012
Cooperative and diminutive interplay between lithium and dihydrogen bonding in F3YLi…NCH…HMH and F3YLi…HMH…HCN triads (Y=C, Si; M=Be, Mg)Mohammad SolimannejadJournal of Molecular Modeling|July 28, 2022
Potential of B<sub>24</sub>O<sub>24</sub> nanocluster for sensing and delivering chlormethine anticancer drug: a DFT studyRezvan Gholami, Mohammad SolimannejadThe Journal of Physical Chemistry. A|March 28, 2008
Complexes pairing hypohalous acids with nitrosyl hydride. blue shift of a NH bond that is uninvolved in a H-bondMohammad Solimannejad, Steve ScheinerPageof 50