Volume 10 (2023)
Volume 9 (2022)
Volume 8 (2021)
Volume 7 (2020)
Volume 6 (2019)
Volume 5 (2018)
Volume 4 (2017)
Volume 3 (2016)
Volume 2 (2015)
Volume 1 (2014)
Investigating the Role of Chirality on the Physical Properties of Boron Nitride and Carbon Nanotubes with Small Diameter
Volume 10, Issue 4, December 2023, Pages 213-222
Carbon Nanocone as a Potential Adsorbent and Sensor for the Removal and Detection of Ciprofloxacin: DFT Studies
Volume 10, Issue 4, December 2023, Pages 288-298
Investigating the performance of a recently synthesized covalent organic framework as an adsorbent for methylene blue: A DFT Study
Volume 9, Issue 4, August 2022, Pages 383-392
A DFT Investigation on Fullerene (C20) Interaction with Nalidixic Acid
Volume 9, Issue 4, August 2022, Pages 393-404
The Effect of Boron Nitride Nanocage on the Thermodynamic and Energetic Properties of TATB
Volume 7, Issue 3, July 2020, Pages 184-194
Quetiapine Adsorption on the Surface of Boron Nitride Nanocage (B12N12): A Computational Study
Volume 7, Issue 2, April 2020, Pages 87-100
Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation
Volume 6, Issue 4, October 2019, Pages 215-223
The Study of Dissolution Boric Acid in Different Temperatures: A DFT study
Volume 5, Issue 4, December 2018, Pages 140-147
A Thermodynamic Study on Nano-graphene Interaction with the Amino acid Phenylalanine in Acidic and Alkaline Conditions at Different Temperatures
Volume 5, Issue 4, December 2018, Pages 148-158
Evaluating the Thermodynamic Parameters the Derivative [b-5,1] tetrazolo [4,2,1] teriazine (TTA) with Boron nitride nano-cage in Different Temperature Conditions by DFT Method
Volume 5, Issue 3, July 2018, Pages 91-102
Evaluating the Performance of 2,3-dihydro-1H-phenothiazine-4(5aH)-one as an Ionophore in Construction of a Cation Selective Electrode by Density Functional Theory
Volume 5, Issue 1, January 2018, Pages 1-10
Computational Study of the Mass, Volume and Surface Effects on the Energetic Properties of RDX Derivatives with Different Fullerenes (C20, C24 and C60)
Volume 5, Issue 1, January 2018, Pages 11-17
Investigating the Complexation of a Recently Synthesized Phenothiazine with Different Metals by Density Functional Theory
Volume 4, Issue 4, December 2017, Pages 101-110
Investigation of High-energy Heterocyclic Synthesis as a Green Fuel from the Reaction of 3,6-D-aminotrazine with Nitric acid and Sodium azid; Under Different Temperature Conditions, by DFT Method
Volume 4, Issue 4, December 2017, Pages 111-117
Thermodynamic Study of Derivatives of PVC Monomer with Nanoparticles of Fullerene, Nanotube and Nanocones at Room Temperature, Using DFT Method
Volume 4, Issue 3, September 2017, Pages 93-100
A DFT Study of the Nuclear Magnetic Properties of Fullerenes
Volume 2, Issue 2, May 2015, Pages 41-49
Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study
Volume 1, Issue 2, April 2014, Pages 51-59