Farideh Badalkhani-Khamseh

发表

Theoretical study on the Al-doped biphenylene nanosheets as NO sensors

M. Hosseini, Razieh Esfandiarpour, Sajad Taghipour, 2020 .

Adsorption behavior of pristine, Al-, and Si-doped carbon nanotubes upon 5-fluorouracil

M. Yahyavi, Farideh Badalkhani-Khamseh, Nasser L. Hadipour, 2020 .

Effect of methyl groups substitution on the strength of intramolecular hydrogen bonding of naphthazarin: DFT and NBO studies

M. Zahedi-Tabrizi, Farideh Badalkhani-Khamseh, 2013, Journal of the Iranian Chemical Society.

PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative study using DFT method

N. Hadipour, A. Ebrahim-Habibi, Farideh Badalkhani-Khamseh, 2021, Journal of Nanoparticle Research.

Heteroatom-containing phosphoramides as carbon steel corrosion inhibitors: Density functional theory and molecular dynamics simulations

K. Gholivand, Farideh Badalkhani-Khamseh, Mohammad Faraghi, 2022, Chemical Physics Impact.

PEGylated PAMAM Dendrimers as Eptifibatide Nanocarriers: An Atomistic View from Molecular Dynamics Simulations

M. Behmanesh, N. Hadipour, A. Ebrahim-Habibi, 2022, Chemical Engineering Science.

Evaluation of newly synthesized phosphoramide derivatives as mild steel anti-corrosions using experimental and theoretical approaches

K. Gholivand, Farideh Badalkhani-Khamseh, Mohammad Faraghi, 2022, Journal of Molecular Structure.

Molecular structure and intramolecular hydrogen bonding in 2-hydroxybenzophenones: A theoretical study

S. Tayyari, M. Zahedi-Tabrizi, Farideh Badalkhani-Khamseh, 2014, Journal of Chemical Sciences.

Exploration of phosphorene as doxorubicin nanocarrier: An atomistic view from DFT calculations and MD simulations.

N. Hadipour, Razieh Esfandiarpour, Farideh Badalkhani-Khamseh, 2022, Colloids and surfaces. B, Biointerfaces.

Investigation of host-guest interactions between polyester dendrimers and ibuprofen using density functional theory (DFT)

N. Hadipour, A. Ebrahim-Habibi, Farideh Badalkhani-Khamseh, 2020 .

Complexation of nicotinic acid with first generation poly(amidoamine) dendrimers: A microscopic view from density functional theory

N. Hadipour, A. Ebrahim-Habibi, A. Bahrami, 2017 .

Influence of dendrimer surface chemistry and pH on the binding and release pattern of chalcone studied by molecular dynamics simulations

N. Hadipour, A. Ebrahim-Habibi, Farideh Badalkhani-Khamseh, 2018, Journal of molecular recognition : JMR.

Evaluation of BLG ability for binding to 5-FU and Irinotecan simultaneously under acidic condition: A spectroscopic, molecular docking and molecular dynamic simulation study

A. Divsalar, A. Nikzamir, B. Ghalandari, 2021, Journal of Molecular Liquids.

Carbon dioxide sensor device based on biphenylene nanotube: A density functional theory study

Razieh Esfandiarpour, Farideh Badalkhani-Khamseh, Fatemeh Zamanian, 2022, Computational and Theoretical Chemistry.

Protein binding and anticancer activity of two newly synthesized Schiff base Platinum (II) complexes: A theoretical and experimental study

A. Divsalar, Farideh Badalkhani-Khamseh, N. Kheiripour, 2023, Journal of Molecular Structure.

Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers

Nasser L. Hadipour, Farideh Badalkhani-Khamseh, Azadeh Ebrahim-Habibi, 2017, Journal of Computer-Aided Molecular Design.

Theoretical studies of phosphorene as a drug delivery nanocarrier for fluorouracil

N. Hadipour, Razieh Esfandiarpour, Farideh Badalkhani-Khamseh, 2023, RSC advances.

Exploring the sensitivity of pristine and Al-doped boron nitride biphenylene nanosheets towards CO (x = 1, 2) gas using density functional theory

Razieh Esfandiarpour, Farideh Badalkhani-Khamseh, Negar Habibzadeh, 2024, Journal of Molecular Liquids.

Molecular Dynamics Simulation Study on the Effect of Oxali-Palladium as a Catalytic Inhibitor of Human Topoisomerase IIα

Xianting Ding, A. Divsalar, B. Ghalandari, 2022, Iranian Journal of Science and Technology, Transactions A: Science.