H. Raissi

H. Raissi, Fariba Mollania, 2014, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Investigation of the Pristine and Functionalized Carbon Nanotubes as a Delivery System for the Anticancer Drug Dacarbazine: Drug Encapsulation.

H. Raissi, Azim Soltanabadi, Afsaneh Maleki, 2020, Journal of pharmaceutical sciences.

Solvent effects on the structural, electronic properties and intramolecular N–H O hydrogen bond strength of 5-aminomethylene-pyrimidine-2,4,6 trion with DFT calculations

H. Raissi, Samaneh Pasban, Fariba Mollania, 2016 .

The analysis of structural and electronic properties for assessment of intramolecular hydrogen bond (IMHB) interaction: a comprehensive study into the effect of substitution on intramolecular hydrogen bond of 4-nitropyridine-3-thiol in ground and electronic excited state

Zahra Khoshbin, H. Raissi, Fariba Mollania, 2014, Structural Chemistry.

Theoretical insights into the intermolecular and mechanisms of covalent interaction of Flutamide drug with COOH and COCl functionalized carbon nanotubes: A DFT approach

A. Morsali, H. Raissi, Maedeh Kamel, 2020 .

Structural, QTAIM, thermodynamic properties, bonding, aromaticity and NMR analyses of cation–π interactions of mono and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+, and Ca2+) with substituted pyrazine derivatives

H. Raissi, M. Zaboli, 2015 .

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

H. Raissi, Farzaneh Farzad, Ameneh Zaboli, 2021, Scientific Reports.

Stereoelectronic effects of porphyrin ligand on the oxygen transfer efficiency of high valent manganese-oxo porphyrin species: A DFT study

Abdolreza Rezaeifard, M. Jafarpour, H. Raissi, 2015 .

The hybrid of Pd and SWCNT (Pd loaded on SWCNT) as an efficient sensor for the formaldehyde molecule detection: A DFT study

H. Raissi, A. Mola, Mehdi Yoosefian, 2015 .

A Theoretical DFT Study on the Structural Parameters and Intramolecular Hydrogen-Bond Strength in Substituted (Z)-N-(Thionitrosomethylene)thiohydroxylamine Systems

H. Raissi, A. Khanmohammadi, Fariba Mollania, 2013 .

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

A. Morsali, H. Raissi, Maedeh Kamel, 2019, Adsorption.

Substituent effect on the reaction mechanism of proton transfer in formamide

H. Raissi, Mehdi Yoosefian, 2012 .

Investigation of the solvent effect, molecular structure, electronic properties and adsorption mechanism of Tegafur anticancer drug on Graphene nanosheet surface as drug delivery system by molecular dynamics simulation and density functional approach

H. Raissi, Mahnaz Shahabi, 2017, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

The performance of the single-walled carbon nanotube covalently modified with polyethylene glycol to delivery of Gemcitabine anticancer drug in the aqueous environment

H. Raissi, Mahnaz Shahabi, Heidar Moradnia, 2020, Journal of biomolecular structure & dynamics.

Assessment of solvent effects on the inclusion behavior of pyrazinamide drug into cyclic peptide based nanotubes as novel drug delivery vehicles

H. Raissi, Mahnaz Shahabi, 2018, Journal of Molecular Liquids.

Covalent organic framework as smart and high efficient carrier for anticancer drug delivery: a DFT calculations and molecular dynamics simulation study

H. Raissi, H. Hashemzadeh, Hassan Hashemzadeh, 2018, Journal of Physics D: Applied Physics.

Analysis of the structures, energetics, and vibrational frequencies for the hydrogen-bonded interaction of nucleic acid bases with Carmustine pharmaceutical agent: a detailed computational approach

H. Raissi, Mahnaz Shahabi, Rabeeh Khorram, 2018, Structural Chemistry.

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure.

H. Raissi, M. Zaboli, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Conformational, vibrational and electronic structure investigations of (z)-2-(oxosilyl) ethylenol

H. Raissi, Farzaneh Farzad, E. Mohammadinezhad, 2014 .

THE EFFECT OF SUBSTITUTION ON STRUCTURE, INTRAMOLECULAR HYDROGEN BONDING STRENGTH, ELECTRON DENSITY AND RESONANCE IN 3-AMINO 2-IMINOMETHYL ACRYL ALDEHYDE

H. Raissi, Farzaneh Farzad, Fariba Mollania, 2012 .

Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde

H. Raissi, Farzaneh Farzad, A. Nowroozi, 2011 .

Conformational and tautomeric preferences in 3-aminoacrylaldehyde: A theoretical study

H. Roohi, H. Raissi, A. Nowroozi, 2011 .

Hydrogen bonding in acetylacetaldehyde: Theoretical insights from the theory of atoms in molecules

A. Jalbout, H. Roohi, H. Raissi, 2009 .

Enhance the efficiency of 5-fluorouracil targeted delivery by using a prodrug approach as a novel strategy for prolonged circulation time and improved permeation.

H. Raissi, Farzaneh Farzad, Samaneh Pasban, 2019, International journal of pharmaceutics.

Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet

H. Raissi, Mahnaz Shahabi, 2020, Journal of biomolecular structure & dynamics.

Synthesis and Theoretical Study of Intramolecular Hydrogen Bond at Two Possible Positions in Pyrazolo[1,2-b]phthalazine

H. Raissi, A. Esmaeili, E. Davamdar, 2012 .

Intramolecular hydrogen bonding in derivatives of 3‐amino‐propenethial

A. Jalbout, Zi‐Xuan Wang, H. Raissi, 2009 .

Intramolecular hydrogen bonding in 3-imino-propenylamine: Theoretical investigations

A. Jalbout, H. Raissi, Shokufeh Moghiminia, 2009 .

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

H. Raissi, Mahnaz Shahabi, 2019, Journal of Molecular Modeling.

Intramolecular hydrogen bond in 3‐imino‐propenylamine isomers: AIM and NBO studies

A. Jalbout, H. Raissi, Farzaneh Farzad, 2009 .

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

M. Y. Hanafi-Bojd, H. Raissi, Milad Iranshahy, 2023, Scientific Reports.

DFT and MD investigations on the functionalized boron nitride nanotube as an effective drug delivery carrier for Carmustine anticancer drug

H. Raissi, A. Akbari, Azam Mortazavifar, 2019, Journal of Molecular Liquids.

Assessment of the effect of external and internal triggers on adsorption and release of paclitaxel from the PEI functionalized silicene nanosheet: A molecular dynamic simulation.

H. Raissi, Farzaneh Farzad, Leila Razavi, 2021, Journal of molecular graphics & modelling.

Molecular mechanism of drug transport and release through zeolitic imidazole framework nanospheres for versatile drug delivery applications

H. Raissi, H. Hashemzadeh, Zohre Hasanzade, 2023, Journal of Molecular Liquids.

Comprehensive study of the structural and electronic properties of complexes formed by Mz+ (Li+, Na+, K+, Be2+, Mg2+, Ca2+) cation and thiophene and its derivatives

H. Raissi, H. Ghiassi, 2015 .

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

H. Raissi, Farzaneh Farzad, E. Nadim, 2010 .

β‐Aminoacrolein: An ab initio, AIM and NBO study

A. Jalbout, H. Raissi, Isaac Jimenez-Fabian, 2008 .

An approach to estimate the energy and strength of the intramolecular hydrogen bond in different conformers of 4-methylamino-3-penten-2-one

A. Jalbout, H. Raissi, M. Hosseini, 2007 .

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

H. Raissi, Farzaneh Farzad, Mahnaz Shahabi, 2019, Molecular Simulation.

The transport of Idarubicin therapeutic agent using a novel graphene sheet as a drug delivery platform through a biomembrane

H. Raissi, Mahnaz Shahabi, 2020 .

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

A. Morsali, H. Raissi, Rabeeh Khorrampour, 2020 .

Molecular insights into the loading and dynamics of anticancer drugs on silicene and folic acid-conjugated silicene nanosheets: DFT calculation and MD simulation

H. Raissi, Farzaneh Farzad, Leila Razavi, 2020, Journal of biomolecular structure & dynamics.

Investigation of adsorption properties of CS2 on interior and exterior surfaces of single-walled silicon-carbide nanotubes and effect of applied electric field: electronic structure, charge density and NMR studies

H. Raissi, H. Ghiassi, 2015 .

Molecular insight into the role of polyethylene glycol and cholesterol on the performance of graphene-based nanomaterials in Blood-brain barrier delivery

H. Raissi, Ali Saberinasab, Hassan Hashemzadeh, 2021, Journal of Molecular Liquids.

A DFT investigation of axial N-donor ligands effects on the high valent manganese-oxo meso-tetraphenyl porphyrin

Abdolreza Rezaeifard, M. Jafarpour, H. Raissi, 2015 .

Adsorption Efficiency of Carbon Materials for the Removal of Organic Pollutants: DDT from Aqueous Solution.

H. Raissi, Ameneh Zaboli, Sedigheh Abdollahi, 2023, Journal of Physical Chemistry B.

Conjugation of a smart polymer to doxorubicin through a pH-responsive bond for targeted drug delivery and improving drug loading on graphene oxide

H. Raissi, Farzaneh Farzad, Hassan Hashemzadeh, 2021, RSC advances.

Architectural design of anode materials for superior alkali-ion (Li/Na/K) batteries storage

H. Raissi, Afsaneh Ghahari, 2024, Scientific reports.

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

H. Raissi, Afsaneh Ghahari, Sajad Akhzari, 2024, npj Clean Water.

Phosphatidylcholine in the tear film of the eye: Enhanced topical delivery of fluorometholone to the eye

H. Raissi, Samaneh Pasban, Gholamreza Jafari, 2023, Inorganic Chemistry Communications.

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

H. Raissi, Farzaneh Farzad, Sedigheh Abdollahi, 2024, Scientific reports.

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

H. Raissi, Farzaneh Farzad, Leila Razavi, 2024, npj Clean Water.