Works matching AU Raissi, Heidar

Results: 73

On the pseudocapacitive behavior of nanostructured molybdenum oxide.

Published in:

Journal of Solid State Electrochemistry, 2010, v. 14, n. 4, p. 643, doi. 10.1007/s10008-009-0830-5

By:

Hossein Farsi;
Fereydoon Gobal;
Heidar Raissi;
Shokufeh Moghiminia

Publication type:

Article

The pH effects on the capacitive behavior of nanostructured molybdenum oxide.

Published in:

Journal of Solid State Electrochemistry, 2010, v. 14, n. 4, p. 681, doi. 10.1007/s10008-009-0828-z

By:

Hossein Farsi;
Fereydoon Gobal;
Heidar Raissi;
Shokufeh Moghiminia

Publication type:

Article

Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation.

Published in:

Amino Acids, 2020, v. 52, n. 10, p. 1465, doi. 10.1007/s00726-020-02905-5

By:

Kamel, Maedeh;
Raissi, Heidar;
Hashemzadeh, Hassan;
Mohammadifard, Kamal

Publication type:

Article

Significantly enhanced performance for phenol compounds removal by MOF-5 nano-composite via its surface modification.

Published in:

NPJ Clean Water, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s41545-024-00338-1

By:

Razavi, Leila;
Raissi, Heidar;
Hashemzehi, Ozra;
Farzad, Farzaneh

Publication type:

Article

Architectural design of 2D covalent organic frameworks (COFs) for pharmaceutical pollutant removal.

Published in:

NPJ Clean Water, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s41545-024-00315-8

By:

Akhzari, Sajad;
Raissi, Heidar;
Ghahari, Afsaneh

Publication type:

Article

Design of a hydroxy channel based on the selectivity of water permeation via ions exclusion.

Published in:

NPJ Clean Water, 2023, v. 6, n. 1, p. 1, doi. 10.1038/s41545-022-00210-0

By:

Ghahari, Afsaneh;
Raissi, Heidar;
Farzad, Farzaneh;
Pasban, Samaneh

Publication type:

Article

Strategy to improve Cu-BTC metal-organic frameworks performance in removal of Rhodamine B: MD and WT-MtD simulations assessment.

Published in:

NPJ Clean Water, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s41545-022-00195-w

By:

Razavi, Leila;
Raissi, Heidar;
Hashemzadeh, Hassan;
Farzad, Farzaneh

Publication type:

Article

Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewaters.

Published in:

NPJ Clean Water, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s41545-022-00173-2

By:

Ghahari, Afsaneh;
Raissi, Heidar;
Pasban, Samaneh;
Farzad, Farzaneh

Publication type:

Article

Economical Oxygenation of Olefins and Sulfides Catalyzed by New Molybdenum(VI) Tridentate Schiff Base Complexes: Synthesis and Crystal Structure.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2012, v. 638, n. 6, p. 1023, doi. 10.1002/zaac.201200079

By:

Rezaeifard, Abdolreza;
Jafarpour, Maasoumeh;
Raissi, Heidar;
Alipour, Mahboubeh;
Stoeckli-Evans, Helen

Publication type:

Article

Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-98597-2

By:

Zaboli, Ameneh;
Raissi, Heidar;
Farzad, Farzaneh

Publication type:

Article

The DFT and MP2 based computational scrutiny on blue-shifted H–F stretching vibrational frequencies in hydrogen-fluoride complexes with nitriles: Insights into the decisive role of intermolecular hydrogen bonding (IMHB) in ground and electronic excited states

Published in:

Arabian Journal of Chemistry, 2019, v. 12, n. 8, p. 2833, doi. 10.1016/j.arabjc.2015.06.003

By:

Khoshbin, Zahra;
Raissi, Heidar;
Zaboli, Maryam

Publication type:

Article

Assessment of dynamical properties of mercaptopurine on the peptide-based metal–organic framework in response to experience of external electrical fields: a molecular dynamics simulation.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 10, p. 1, doi. 10.1007/s00894-019-4178-1

By:

Shahabi, Mahnaz;
Raissi, Heidar

Publication type:

Article

Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 6, p. N.PAG, doi. 10.1007/s00894-019-4024-5

By:

Dehneshin, Narjes;
Raissi, Heidar;
Hasanzade, Zohre;
Farzad, Farzaneh

Publication type:

Article

The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel: a molecular dynamics simulation study.

Published in:

Journal of Molecular Modeling, 2017, v. 23, n. 8, p. 1, doi. 10.1007/s00894-017-3391-z

By:

Hashemzadeh, Hassan;
Raissi, Heidar

Publication type:

Article

Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug: a molecular dynamics simulation study.

Published in:

Journal of Molecular Modeling, 2017, v. 23, n. 2, p. 1, doi. 10.1007/s00894-017-3207-1

By:

Hasanzade, Zohre;
Raissi, Heidar

Publication type:

Article

Design of new drug delivery platform based on surface functionalization of black phosphorus nanosheet with a smart polymer for enhancing the efficiency of doxorubicin in the treatment of cancer.

Published in:

Journal of Biomedical Materials Research, Part A, 2021, v. 109, n. 10, p. 1912, doi. 10.1002/jbm.a.37183

By:

Hashemzadeh, Hassan;
Raissi, Heidar

Publication type:

Article

A comprehensive study of the structure, tautomeric properties, and conformational flexibility of 3-Hydroxy-propeneselenal.

Published in:

Journal of Chemical Sciences, 2015, v. 127, n. 6, p. 999, doi. 10.1007/s12039-015-0856-4

By:

YOOSEFIAN, MEHDI;
RAISSI, HEIDAR;
SOHEILI, SAEEDEH

Publication type:

Article

Theoretical study on β-aminoacroleine; Density functional theory, atoms in molecules theory and natural bond orbitals studies.

Published in:

Journal of Chemical Sciences, 2012, v. 124, n. 3, p. 731, doi. 10.1007/s12039-011-0212-2

By:

RAISSI, HEIDAR;
YOOSEFIAN, MEHDI;
MOSHFEGHI, EFFAT;
FARZAD, FARZANEH

Publication type:

Article

Adsorption of Ampyra anticancer drug on the graphene and functionalized graphene as template materials with high efficient carrier.

Published in:

Adsorption, 2020, v. 26, n. 6, p. 879, doi. 10.1007/s10450-019-00142-1

By:

Dastani, Najme;
Arab, Ali;
Raissi, Heidar

Publication type:

Article

Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug.

Published in:

Adsorption, 2020, v. 26, n. 6, p. 925, doi. 10.1007/s10450-019-00056-y

By:

Kamel, Maedeh;
Raissi, Heidar;
Morsali, Ali;
Mohammadifard, Kamal

Publication type:

Article

Understanding the role of hydrogen bonds in destruction of DNA by screening interactions of Flutamide anticancer drug with nucleotides bases: DFT perspective, MD simulation and free energy calculation.

Published in:

Adsorption, 2020, v. 26, n. 3, p. 491, doi. 10.1007/s10450-019-00179-2

By:

Kamel, Maedeh;
Raissi, Heidar;
Hashemzadeh, Hassan;
Mohammadifard, Kamal

Publication type:

Article

Microwave-assisted solvent-free synthesis and spectral and structural characterization of cyclotriphosphazene hexakis(o-tolylamide).

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2018, v. 73, n. 12, p. 999, doi. 10.1515/znb-2018-0136

By:

Hakimi, Mohammad;
Rezaei, Homeyra;
Moeini, Keyvan;
Raissi, Heidar;
Eigner, Vaclav;
Dušek, Michal

Publication type:

Article

Assessment of sulfobutylether-beta-cyclodextrin as a promising Fluorometholone molecule container: DFT, Docking, Molecular dynamics and MM-PBSA free energy calculations.

Published in:

Molecular Simulation, 2022, v. 48, n. 2, p. 168, doi. 10.1080/08927022.2021.1996575

By:

Jafari, GholamReza;
Raissi, Heidar;
Shahabi, Mahnaz

Publication type:

Article

Predicting the efficiency of polyethylene glycol-functionalised graphene in delivery of temozolomide anticancer drug and investigating the effect of pH on the drug release process: DFT and free energy calculations.

Published in:

Molecular Simulation, 2020, v. 46, n. 18, p. 1474, doi. 10.1080/08927022.2020.1845910

By:

Saberinasab, Ali;
Raissi, Heidar;
Hashemzadeh, Hassan

Publication type:

Article

The scrutinised DFT and MD studies on the adsorption of D-penicillamine drug on γ-Fe2O3 nanoparticle as a highly efficient carrier.

Published in:

Molecular Simulation, 2020, v. 46, n. 5, p. 408, doi. 10.1080/08927022.2020.1716979

By:

Khorrampour, Rabeeh;
Raissi, Heidar;
Shaki, Hosien;
Morsali, Ali;
Hashemzadeh, Hasan

Publication type:

Article

Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs.

Published in:

Molecular Simulation, 2020, v. 46, n. 2, p. 111, doi. 10.1080/08927022.2019.1679363

By:

Ghadri, Zahra;
Raissi, Heidar;
Shahabi, Mahnaz;
Farzad, Farzaneh

Publication type:

Article

DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules.

Published in:

Molecular Simulation, 2017, v. 43, n. 9, p. 675, doi. 10.1080/08927022.2017.1295453

By:

Zaboli, Maryam;
Raissi, Heidar

Publication type:

Article

Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-87011-6

By:

Pasban, Samaneh;
Raissi, Heidar

Publication type:

Article

Selectivity and morphological engineering of a unique gallium−organic framework for antibiotics exclusion in water.

Published in:

NPJ Clean Water, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s41545-024-00416-4

By:

Barati, Mahdi;
Raissi, Heidar;
Ghahari, Afsaneh

Publication type:

Article

Engineered crystalline polymers for effective contaminant removal from water.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-83192-y

By:

Heydari, Hadiseh;
Raissi, Heidar;
Ghahari, Afsaneh

Publication type:

Article

Selective detection of food contaminants using engineered gallium-organic frameworks with MD and metadynamics simulations.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-69111-1

By:

Hamsayegan, Somayeh;
Raissi, Heidar;
Ghahari, Afsaneh

Publication type:

Article

Selective detection of food contaminants using engineered gallium-organic frameworks with MD and metadynamics simulations.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-69111-1

By:

Hamsayegan, Somayeh;
Raissi, Heidar;
Ghahari, Afsaneh

Publication type:

Article

Examine stability polyvinyl alcohol-stabilized nanosuspensions to overcome the challenge of poor drug solubility utilizing molecular dynamic simulation.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-68362-2

By:

Abdollahi, Sedigheh;
Raissi, Heidar;
Farzad, Farzaneh

Publication type:

Article

Doped-SiCNT as a promising sensor for detection of CS 2 molecule.

Published in:

Journal of Sulfur Chemistry, 2017, v. 38, n. 4, p. 372, doi. 10.1080/17415993.2017.1302449

By:

Ghiassi, Hamideh;
Raissi, Heidar

Publication type:

Article

Comprehensive study of the structural and electronic properties of complexes formed by M (Li , Na , K , Be , Mg , Ca ) cation and thiophene and its derivatives.

Published in:

Journal of Sulfur Chemistry, 2015, v. 36, n. 1, p. 48, doi. 10.1080/17415993.2014.962537

By:

Ghiassi, Hamideh;
Raissi, Heidar

Publication type:

Article

Theoretical conformational study of 1,1,1-trifluoro-4-mercapto-but-3-ene-2-thione and the importance of intramolecular hydrogen bonding in ground and first electronic excited state.

Published in:

Journal of Sulfur Chemistry, 2014, v. 35, n. 6, p. 613, doi. 10.1080/17415993.2014.942780

By:

Hokmabadi, Leila;
Raissi, Heidar;
Mollania, Fariba

Publication type:

Article

A computational investigation on the molecular structure, electronic properties and intramolecular hydrogen bonding interaction of 1,1,1-trifluoro-4-mercaptobut-3-ene-2-thione in ground and electronic excited state.

Published in:

Journal of Sulfur Chemistry, 2014, v. 35, n. 5, p. 512, doi. 10.1080/17415993.2014.930863

By:

Hokmabadi, Leila;
Raissi, Heidar

Publication type:

Article

Quantum chemical studies on molecular conformations, energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenol.

Published in:

Journal of Sulfur Chemistry, 2014, v. 35, n. 2, p. 152, doi. 10.1080/17415993.2013.819873

By:

Farzad, Farzaneh;
Farsi, Hossein;
Raissi, Heidar

Publication type:

Article

Conformational study, molecular structure, and S H?N, S?H N intramolecular hydrogen bond in thioformyl-3-aminoacrylaldehyde.

Published in:

Journal of Sulfur Chemistry, 2012, v. 33, n. 1, p. 75, doi. 10.1080/17415993.2011.635793

By:

Raissi, Heidar;
Yoosefian, Mehdi;
Zamani, Soheila;
Farzad, Farzaneh

Publication type:

Article

Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial.

Published in:

Journal of Sulfur Chemistry, 2010, v. 31, n. 4, p. 275, doi. 10.1080/17415993.2010.492871

By:

Nadim, EmadSaleh;
Raissi, Heidar;
Yoosefian, Mehdi;
Farzad, Farzaneh;
Nowroozi, AliReza

Publication type:

Article

Optimizing saffron bioactive extraction with deep eutectic solvents.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-99695-1

By:

Saberi, Atefeh;
Raissi, Heidar;
Zaboli, Ameneh;
Hashemzadeh, Hassan

Publication type:

Article

A strategy to improve the adsorption capacity of OPs-dye pollutants from the aqueous environment using adsorbents based on 2D transition metal carbides (V2CTx).

Published in:

Applied Water Science, 2025, v. 15, n. 1, p. 1, doi. 10.1007/s13201-024-02331-y

By:

Bina, Ali;
Raissi, Heidar

Publication type:

Article

Advanced porous covalent organic framework (COF) materials for the capture of alizarin dye and its derivatives from the aquatic environment.

Published in:

Applied Water Science, 2024, v. 14, n. 8, p. 1, doi. 10.1007/s13201-024-02242-y

By:

Nakhaei, Alireza;
Raissi, Heidar;
Farzad, Farzaneh

Publication type:

Article

Evaluation the synergistic antitumor effect of methotrexate–camptothecin codelivery prodrug from self‐assembly process to acid‐catalyzed both drugs release: A comprehensive theoretical study.

Published in:

Journal of Computational Chemistry, 2020, v. 41, n. 16, p. 1486, doi. 10.1002/jcc.26192

By:

Pakdel, Majid;
Raissi, Heidar;
Hosseini, Seyede T.

Publication type:

Article

Mechanistic, energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamine.

Published in:

Journal of the Serbian Chemical Society, 2018, v. 83, n. 2, p. 167, doi. 10.2298/JSC170218072S

By:

SHAKI, HOSEIN;
MORSALI, ALI;
RAISSI, HEIDAR;
HAKIMI, MOHAMMAD;
BEYRAMABADI, S. ALI

Publication type:

Article

Mechanistic, energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamine.

Published in:

Journal of the Serbian Chemical Society, 2018, v. 83, n. 1, p. 1, doi. 10.2298/JSC170218072S

By:

SHAKI, HOSEIN;
MORSALI, ALI;
RAISSI, HEIDAR;
HAKIMI, MOHAMMAD;
BEYRAMABADI, S. ALI

Publication type:

Article

Validation of an MD simulation approach for electrical field responsive micelles and their application in drug delivery.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-29835-y

By:

Razavi, Leila;
Raissi, Heidar;
Farzad, Farzaneh

Publication type:

Article

The combination of polyphenols and phospholipids as an efficient platform for delivery of natural products.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-29237-0

By:

Hashemzadeh, Hassan;
Hanafi-Bojd, Mohammad Yahya;
Iranshahy, Milad;
Zarban, Asghar;
Raissi, Heidar

Publication type:

Article

PNIPAM/Hexakis as a thermosensitive drug delivery system for biomedical and pharmaceutical applications.

Published in:

Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-18459-3

By:

Raissi, Heidar;
Pasban, Samaneh

Publication type:

Article

Comprehensive study of the interaction between hydrogen halides and methanol derivatives.

Published in:

International Journal of Quantum Chemistry, 2012, v. 112, n. 16, p. 2782, doi. 10.1002/qua.23298

By:

Raissi, Heidar;
Yoosefian, Mehdi;
Mollania, Fariba

Publication type:

Article