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Hossein Farrokhpour

Assistant Professor of Physical Chemistry

Welcome to Hossein Farrokhpour

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Office : Chemistry Department Email : farrokhphossein@gmail.com ; h-farrokh@cc.iut.ac.ir Phone : +98 311 3913243 Fax : +98 311 3913252 Web Site : Hossein Farrokhpour

Assistant Professor

Research Fields : Atomic and molecular spectroscopy (Experimental)

Quantum mechanics and computational chemistry (Theoretical)

Statistical mechanics

Teaching

Recent Publications

Acidity Constants of Some Sulfur Oxoacids in Aqueous Solution using CCSD and MP2 Methods

Theoretical Studies on Tautomerism of Imidazole-2-Selenone

Theoretical study on keto-enol tautomerism and isomerization in pyruvic acid

Valance Ionization of L-Proline Amino acid: Experimental and Theory

Ab initio intermolecular potential energy surfaces for the He-CS2, Ne-CS2 and Ar-CS2 Complexes

Photoelectron Spectra of some important Biological molecules: Symmetry adapted configuration interaction study

Bis- and tris(2,3-dihydro-4a,12b-(epoxyethanooxy)[1,4]dioxino[2,3-f][1,10]phenanthroline) complexes of Ru(II): Synthesis, structure and DNA binding properties

Theoretical Study on the Structures, Stabilities and electronic properties of S2O52- Isomers in the Gas and Solution Phases

Theoretical Study on the Mechanism and Kinetics of Acetaldehyde and Hydroperoxyl Radical Reaction

Thermodynamic Study of Proton-Bond Dimers Formation in Atmospheric Pressure: An Experimental and Theoretical Study

DFT, CBS-Q, W1BD and G4MP2 calculation of the proton and electron affinities, gas phase basicities and ionization energies of saturated and unsaturated carboxylic acids (C1-C4)

Theoretical Investigation of the Ability of Borazine-Melamine Polymer as a Novel Candidate for Hydrogen Storage Applications

Boron oxide nanocapsules: DFT + Disp, MP2 and Monte Carlo simulation of gas storage capability

Protonation of Caffeine: A Theoretical and Experimental Study

“DFT and MP2 Study of Low barrier Proton Transfer in Hydrazide Schiff Base Tautomers via Water Bridges and in the gas Phase

Photo induced dissociation of amino acids free from thermal degradation effects: A case study applied to DL-Valine

Potential Energy Surfaces of He-CS2, Ne-CS2 and Ar-CS2 Dimers : Second Virial Coefficient and Vibrational Energy Levels

Synthesis, X-ray structure, electrochemistry, and theoretical studies of palladium(II) complex with a tetradentate bis(quinoline-2-carboxamide) ligand

DFT Study of Kinetics and Thermodynamics of Proton – Bound Dimer Formation of Methyl Isobutyle Ketone and 2, 4- Dimethyle Pyridine

Two Dimensional Optogalvanic Spectroscopy

Photoelectron Spectra of Oxyacids of Nitrigen in Gas Phase and Solution

Theoretical and Experimental Study of Valence Photoelectron Spectrum of DL- Alanine Amino Acid

Temporal evolution of two-photon time-resolved optogalvanic signals of neon in the 600-630 nm region

Unusual condensation of ethylene glycol with coordinated 1,10-phenanthroline-5,6-dione in [Ru(phen-dione)2Cl2] and its cyclometallated complex, [Ru(phpy-κ2N,C2′)(phen-diox)2](PF6)

Thermodynamic properties of the freely jointed tangent homonuclear Yukawa chain fluid

Computational and electrochemical studies on the redox reaction of (2,3dihydroxy phenyl)1,3dithiane in aqueous solution

DFT investigation of endohedral boron oxide nanocapsules: Encapsulation of He, Ne, Ar, H, N, and Cl atoms

Intermolecular potential energy surface for CS2-CS2 System

Valance Photoelectron Spectroscopy of DL-Valine Amino-Acid

Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology

Ionization and Excitation of Free Atoms, Molecules and Clusters Using Synchrotron Radiation

A new simple analytical expression for the average site-site radial distribution function of hard sphere chain fluid

Valance Photoelectron Spectroscopy of DL-Alanine Amino-Acid

Formation of Proton-bound Dimers in Atmospheric Pressure, A Thermodynamics Study

An Analytical Expression for the Average Site-Site Radial Distribution Function of Hard Sphere Chain Fluid

Two-Dimensional High Resolution Optogalvanic Spectroscopy

Monomer and dimer structures of N,N dibenzyledeneethylenediamine derivatives: DFT, NBO and MO studies

Ionic and Excited States of Hypoxanthine, Xanthine and Caffeine: A Theoretical Calculation of UV- photoelectron and Absorption Spectra using SAC/SAC-CI Method

Novel C20 Carbon Nanostructures: Scanning Tunneling Microscopy (STM), Electronic Structure, Vibrational and UV Spectroscopic Analysis

Conformational Analysis and Experimental Single Crystal X-ray of N,N Dibenzyledeneethylenediamine Derivatives

Influence of B, Ga and In impurities on the structure and electronic properties of alumina nanoball

The Study of Two Photon in Neon in 600-630 nm Region

An analytical perturbed equation of state for hard chain fluids: Application to n- alkanes and n-perfluoroalkanes

An Analytical Perturbed Equation of State for Hard Chain Fluids: Modeling P-V-T Behavior of Short n-Alkanes and n-Perfluoroalkanes

Conformational analysis and intramolecular/intermolecular interactions of N,N'- dibenzylideneethylenediamine derivatives

Thermodynamic Study of Proton-Bond Dimer Formation Reaction in Gas Phase

Two Photon Time Resolved Optogalvanic Signals of Neon

Two-photon time-resolved optogalvanic signal of Neon

One and Two-Photon Laser Optogalvanic Spectroscopy of Neon in the 570 to 626 nm Region

Excixtation of 1S and 3S Metastable Helium Atoms to Doubly Excited States

Angular Effects in Autoionization of 3P Doubly Excited States in He

Intermolecular Potential Energy Surface for CS2-CS2 System

Investigation of R-Dependence of the Electronic Transition Moment for K® P* Excitation and K-shell Ionization for O2 and CO Molecules

Study of Doubly Excited States of Helium-Excitation of 1/3S Metastable Helium Atoms

A New Analytical Perturbed Equation of State for Hard Chain Fluids with Attractive Potential of Variable Range

Fluids Containing Hard-Chain Molecules with Attractive Potential of Variable Range: Extension to mixtures and Heteronuclear Chain Fluids

A new analytical perturbed equation of state for hard chain molecules with attractive potentials of variable range

Wavelength Calibration of the Dye Laser using Optogalvanic Spectroscopy

Fluids containing hard chain molecules with attractive potential of variable range: Extension to mixtures and heteronuclear chain fluids

Spin-Orbit Activated Interchannel Coupling in 3d Photoionization of Barium Atoms

One and two photon laser optogalvanic spectroscopy of Neon in the 570 to 630 ( nm) region

Spin-Orbit Activated Interchannel Coupling in the 3d Photoionization of Barium Atoms

A Proposed Experiment for Excitation of the Metastable Helium Atom (1,3S) to Doubly Excited States

Spin-orbit activated interchannel coupling in the 3d photoionization of barium atoms

Optogalvanic Spectroscopy

Optogalvanic Spectroscopy

Spin-Orbit Activated Interchannel Coupling in the Core Photoionization of Atoms

Excitation of Helium from Singly Excited Singlet and Triplet Metastable States to Doubly Excited States

High-Resolution Study of the Doubly Excited States of Helium–excitation of 1/3S Metastable Helium Atoms

Observation of the spin-orbit activated interchannel coupling in the 3d photoionization of cesium atoms

Resonant Auger spectroscopy of metastable molecular oxygen

Observation of the spin-orbit activated interchannel coupling in the 3d photoionization of Cesium atoms

Gas Phase Photoemission Beamline at Elettra: Status of the Project

Resonant Auger and Ultrafast Dissociation of Small Organic Molecules at the Oxygen K-Edge

The Gas Phase Photoemission Beamline: A Facility for Atomic, Molecular and Chemical Research

Femtochemistry, Atomic-Scale Dynamics of the Chemical Bond

K-Shell Ionization of O2 Molecule in its Metastable (a1Dg) state

Observation of the Spin-Orbit Activated Inter-channel Coupling in the 3d Photoionization of Cesium Atoms

Resonant Auger Spectroscopy of Metastable Molecular Oxygen

Ultrafast Dissociation of Methanol and Formic Acid at the Oxygen K-edge

A New Analytical Expression for Free-energy of Hard-core Fluids

Research Activities in the Gas-Phase Photoemission Beamline at Elettra

A New Analytical Expression for the Free Energy of Hard-Core Fluids

Introduction of the Synchrotron Light Laboratory at Elettra and Research Activities in the Gas-Phase Photoemission Beamline at Elettra

Analytical Expression for Thermodynamic Properties of some Hard core Fluids

Deriving a New Modified van der Waals Equation of State for Supercritical Fluids

Deriving a New Equation of State Based on the Classical Statistical Mechanics

Chemical Oscillations