Number of Articles: 341
326. Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study

Volume 7, Issue 2, Spring 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


327. Application of Carnahan-Starling-vdW-β Equation of State for Refrigerant Fluids

Volume 6, Issue 2, Spring 2018, Pages 447-462

S. Mostafa Hosseini

Application of Carnahan-Starling-vdW-β Equation of State for Refrigerant Fluids


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

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

Mohammad Solimannejad; Motahareh Noormohammadbeigi

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


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

Volume 5, Issue 4, Autumn 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


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

Volume 6, Issue 4, Autumn 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


334. Prediction of DES’ Vapor Pressure Using a New Corresponding State Model

Volume 8, Issue 3, Summer 2020, Pages 471-496

Freidoon Esmaelizadeh; Fariba Zarei; Seyedeh Maryam Mousavi; G.Reza Vakili-Nezhaad

Prediction of DES’ Vapor Pressure Using a New Corresponding State Model


335. Liquid-Liquid Equilibrium Data of the Ternary Mixture of (Water + Phosphoric Acid + Heptyl Acetate) at 298.2 K and ≈ 102 kPa

Volume 8, Issue 3, Summer 2020, Pages 497-509

Sina Shekarsaraee; Ali Ghanadzadeh Gilani; Mahrokh Pir

Liquid-Liquid Equilibrium Data of the Ternary Mixture of (Water + Phosphoric Acid + Heptyl Acetate) at 298.2 K and ≈ 102 kPa


339. Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters

Volume 8, Issue 3, Summer 2020, Pages 557-568

Hadi Salari; Mohammad Reza Gholami

Selective Oxidation of Alkenes by Dioxygen Using Modified Gold Nanoclusters


340. Kinetic, Isotherm and Mechanism Investigations of the Removal of Basic Violet 3 from Water by Raw Spent Coffee Grounds

Volume 8, Issue 3, Summer 2020, Pages 569-584

Ilyasse Loulidi; Fatima Boukhlifi; Mbarka Ouchabi; Abdelouahed Amar; Maria Jabri; Abderahim Kali; Faissal Aziz

Kinetic, Isotherm and Mechanism Investigations of the Removal of Basic Violet 3 from Water by Raw Spent Coffee Grounds


341. Optimization and Modeling of Complete Removal of N-Compounds from Oil Cut Using Response Surface Methodology (RSM) by CuAlO2/ZSM-12&35 as a New Photocatalyst

Volume 8, Issue 4, Autumn 2020, Pages 585-608

Masoomehalsadat Rahmati; Reza Fazaeli; Masood Giahi Saravani; Reza Ghiasi

Optimization and Modeling of Complete Removal of N-Compounds from Oil Cut Using Response Surface Methodology (RSM) by CuAlO2/ZSM-12&35 as a New Photocatalyst