Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF

Volume 6, Issue 2, June 2018, Pages 309-321

Sadegh Afshari; Jaber Jahanbin Sardroodi

Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF


TiO2@CoFe2O4 Nanofiber for the Photocatalytic Degradation of Direct Red 80

Volume 7, Issue 2, June 2019, Pages 309-325

Soheil Yasini Ardakani; Ramin Abghari; Mohammad Mirjalili

TiO2@CoFe2O4 Nanofiber for the Photocatalytic Degradation of Direct Red 80


Biological Applications of Isothermal Titration Calorimetry

Volume 3, Issue 4, December 2015, Pages 319-330

Maliheh Sadat Atri; Ali Akbar Saboury; Faizan Ahmad

Biological Applications of Isothermal Titration Calorimetry


Prediction of Fe-Co-Mn/MgO Catalytic Activity in Fischer-Tropsch Synthesis Using Nu-support Vector Regression

Volume 4, Issue 3, September 2016, Pages 391-405

Ali Akbar Mirzaei; Somayeh Golestan; Seyed-Masoud Barakati

Prediction of Fe-Co-Mn/MgO Catalytic Activity in Fischer-Tropsch Synthesis Using Nu-support Vector Regression


Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA)

Volume 5, Issue 3, September 2017, Pages 483-496

Leila Karami; Elham Tazikeh-Lemeski; Ali Akbar Saboury

Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA)


Novel N-heterocyclic Stannylenes (NHSns) Using DFT

Volume 7, Issue 3, September 2019, Pages 511-521

Amir Hosein Zamanzadeh; Nazanin Mohebi; Mohammad Zaman Kassaee; Peter Cummings; Kun Dong

Novel N-heterocyclic Stannylenes (NHSns) Using DFT


Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions

Volume 4, Issue 4, December 2016, Pages 583-589

Mohammad Solimannejad; Seyyedeh Marziyeh Hosseini; Abedin Zebardasti

Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions


Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters

Volume 5, Issue 4, December 2017, Pages 691-707

Arash Shamseddini; Fereidun Esmaeilzadeh; Dariush Mowla

Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters


Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4

Volume 6, Issue 4, December 2018, Pages 759-771

Seyyed Mojtaba Mousavi; Seyyed Alireza Hashemi; Ali Mohammad Amani; Hossein Esmaeili; Younes Ghasemi; Aziz Babapoor; Fatemeh Mojoudi; Omid Arjomand

Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4


Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study

Volume 7, Issue 4, December 2019, Pages 785-797

Mohammad Khavani; Mohammad Izadyar

Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study


Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study

Volume 3, Issue 1, March 2015, Pages 67-77

Mohammad Izadyar; Mohammad reza Housaindokht; Neda Zavvar; Mohammad Khavani; Adel Reisi-vanani

Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study


Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study

Volume 2, Issue 1, June 2014, Pages 68-75

Behzad Chahkandi; Mohammad Chahkandi; Bentolhoda Ashrafi

Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study


The effect of some mono and bivalent metal cations on the individual hydrogen bond energies in A−T and G−C base pairs

Volume 1, Issue 1, June 2013, Pages 81-89

Hojat Delarami; Ali Ebrahimi; Mostafa Habibi Khorassani; Somaye Abedini; Najmeh Mostafavi

The effect of some mono and bivalent metal cations on the individual hydrogen bond energies in A−T and G−C base pairs


New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent

Volume 5, Issue 1, March 2017, Pages 81-98

Ensieh Ghasemian Lemraski; Soheila Sharafinia; Masoud Alimohammadi

New Activated Carbon from Persian Mesquite Grain as an Excellent Adsorbent


Products of the Self-Reaction of HCO Radicals: Theoretical Kinetics Studies

Volume 7, Issue 1, March 2019, Pages 81-94

Vahid Saheb; Afsaneh Nazari


A New Thermodynamic Approach for Protein Partitioning in Reverse Micellar Solution

Volume 6, Issue 1, March 2018, Pages 105-113

Shahriar Osfouri; Tuba Tayebi; Reza Azin

A New Thermodynamic Approach for Protein Partitioning in Reverse Micellar Solution


Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate

Volume 8, Issue 1, March 2020, Pages 111-124

Mohammed Ait Himi; Sanae El Ghachtouli; Amina Amarray; Zaina Zaroual; Patrick Bonnaillie; Mohamed Azzi

Removal of Azo Dye Calcon Using Polyaniline Films Electrodeposited on SnO2 Substrate


An Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids

Volume 3, Issue 2, June 2015, Pages 169-178

Mohammad Hasan Vakili; Ehsan Sanjari; Zahra Jali

An Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids


Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block

Volume 3, Issue 3, September 2015, Pages 239-245

Narges Nikoofard; Fahimeh Maghsoodi

Amphiphilic Block Copolymer Nano-micelles: Effect of Length Ratio of the Hydrophilic Block


A Novel Poly(vinyl alcohol) Post-precipitation Template Synthesis and Property Tuning of Photoactive Mesoporous Nano-TiO2

Volume 8, Issue 2, June 2020, Pages 281-295

Abubakar Hamisu; Umar Gaya; Abdul Halim Abdullah

A Novel Poly(vinyl alcohol) Post-precipitation Template Synthesis and Property Tuning of Photoactive Mesoporous Nano-TiO2