Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study

Volume 7, Issue 2, June 2019, Pages 435-447

Mehdi Ghambarian; Mohammad Ghashghaee; Zahra Azizi; Mahboobeh Balar

Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study


HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study

Volume 4, Issue 4, December 2016, Pages 693-706

Mohammad Solimannejad; Motahareh Noormohammadbeigi

HNO Detection by Nanosized B12N12 Cage: A DFT/TDDFT Study


The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study

Volume 5, Issue 4, December 2017, Pages 831-839

Maryam Farsad; MohammadReza Elahifard; Reza Behjatmanesh-Ardakani

The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study


DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery

Volume 6, Issue 4, December 2018, Pages 871-878

Mohammad Mohsen Loghavi; Hossein Mohammadi-Manesh; Rahim Eqra; Abdolmajid Ghasemi; Mohsen Babaiee

DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery


The Perlite-calcium Alginate-activated Carbon Composite as an Efficient Adsorbent for the Removal of Dyes from Aqueous Solutions

Volume 9, Issue 1, March 2021, Pages 1-16

Mahdieh Chegeni; Sorour Etemadpour; Mohammad Hosein Fekri

The Perlite-calcium Alginate-activated Carbon Composite as an Efficient Adsorbent for the Removal of Dyes from Aqueous Solutions


Structural, Morphological and Physiochemical Analysis of SiC8H20O4/C2H5O/C7H16 Modified Mesoporous Silica Aerogels

Volume 11, Issue 1, March 2023, Pages 1-8

Faheem Akhter; Dr. Suhail Ahmed Soomro; Abdul Rauf Jamali; Vassilis J Inglezakis

Structural, Morphological and Physiochemical Analysis of SiC8H20O4/C2H5O/C7H16 Modified Mesoporous Silica Aerogels


In-Silico Molecular Docking, Validation, Drug-Likeness, and ADMET Studies of Antiandrogens to Use in the Fight against SARS-CoV-2

Volume 11, Issue 1, March 2023, Pages 9-21

Asmae Saih; Imane Ettaki; hanâ Baba; Meryem Bouqdayr; Hassan Ghazal; Salsabil Hamdi; Samya Moussamih; Houda Bennani; Rachid Saile; Anass Kettani; Lahcen Wakrim

In-Silico Molecular Docking, Validation, Drug-Likeness, and ADMET Studies of Antiandrogens to Use in the Fight against SARS-CoV-2


Performance and Emissions Investigation of Biodiesel Made from Neem Oil

Volume 12, Issue 1, March 2024, Pages 11-19

T. Ahilan; P. Suresh; S.D. Dhanesh Babu; Ram Kumar A; Selvaraj S

Performance and Emissions Investigation of Biodiesel Made from Neem Oil


Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent

Volume 9, Issue 1, March 2021, Pages 17-30

Hadi Adel Niaei; Mohammad Rostamizadeh; Farid Maasumi; Jaber Darabi

Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent


Biosynthesis and Optimization of AgNPs Yield from Chromolaena Odorata Leaf Extract Using Response Surface Methodology (RSM)

Volume 12, Issue 1, March 2024, Pages 21-31

Oluwole B Ogunsile; Olayinka S. Okoh; Ikechukwu P. Ejidike; Omodara R. Omolaja

Biosynthesis and Optimization of AgNPs Yield from Chromolaena Odorata Leaf Extract Using Response Surface Methodology (RSM)


Enhanced Luminescence and Energy Transfer of Bi3+/Dy3+ Co-doped La2Zr2O7 Nanophosphors for pc-LED Applications

Volume 11, Issue 1, March 2023, Pages 23-31

V Naveen Kumar Basina; Nirmal Rajeev Yerramalla; Esub Basha Shaik; Venkatarao K; Ramachandra Rao K; Sandhya Cole

Enhanced Luminescence and Energy Transfer of Bi3+/Dy3+ Co-doped La2Zr2O7 Nanophosphors for pc-LED Applications


Complexation of Modified Deferasirox with Iron Cation in Three-multiplicities: A Theoretical Study on the [SPION-APTMS-DFX-Fe] Nanostructure

Volume 9, Issue 1, March 2021, Pages 31-42

Seyed Mojtaba Mashmoul Moghadam; Amir Shokooh Saljooghi; Mohammad Izadyar

Complexation of Modified Deferasirox with Iron Cation in Three-multiplicities: A Theoretical Study on the [SPION-APTMS-DFX-Fe] Nanostructure


Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors

Volume 10, Issue 1, March 2022, Pages 31-44

Fatemeh Ansari; Ali Niazi; Jahan Ghasemi; Atisa Yazdanipour

Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors


Nicotinamide Solubility in Ethanol + Acetonitrile at Different Temperatures

Volume 12, Issue 1, March 2024, Pages 33-45

Sheida Khajir; Ali Shayanfar; Fleming Martinez; Elaheh Rahimpour; Abolghasem Jouyban

Nicotinamide Solubility in Ethanol + Acetonitrile at Different Temperatures


Synthesis of KOH@CaO Catalyst by Sol-gel Method for Highly Efficient Biodiesel Production from Olive Oil

Volume 9, Issue 1, March 2021, Pages 43-55

Eshaq Bazhdan; Sajad Tamjidi; Parham Rouhi; Hossein Esmaeili

Synthesis of KOH@CaO Catalyst by Sol-gel Method for Highly Efficient Biodiesel Production from Olive Oil