Search Results - "Farrokhpour, H."

A TD-DFT study of the excited dissociative electronic states of the DNA nucleobases bound to Li by Farrokhpour, H., Khoshkhou, S.

“…In this work, the first and second dissociative potential curves of adenineLi+ (ADLi+), guanineLi+ (GUALi+), cytosineLi+(CYTLi+), and thymineLi+ (THYLi+)…”
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Ionization of vitamin B6 in the gas phase and water: Theoretical study by Abyar, F., Farrokhpour, H.

“…[Display omitted] •Ionization energies of vitamin B6 in the gas phase and water.•The effect of the solvent on the assignment of the ionization bands.•The…”
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Li+ and Na+ attachment to some dipeptides via LDI-TOF mass spectrometry: Fragmentation patterns by Farrokhpour, H., Aboutorab, M., Amiri, R., Tabrizchi, M.

“…[Display omitted] •LDI-TOF mass spectra of four dipeptides were recorded in the presence of salts.•The effect of the type of salt on the fragmentation pattern…”
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Facile synthesis of Pt–Pd@Silicon nanostructure as an advanced electrocatalyst for direct methanol fuel cells by Ensafi, Ali A., Jafari-Asl, M., Rezaei, B., Abarghoui, M. Mokhtari, Farrokhpour, H.

“…In this work, platinum–palladium (Pt–Pd) is assembled in-situ on the surface of porous silicon flour (PSiF) through chemical reduction of PtCl62−/PdCl42− and…”
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Development of highly selective and sensitive fluorimetric label-free mercury aptasensor based on cysteamine@CdTe/ZnS quantum dots, experimental and theoretical investigation by Rezaei, B., Shahshahanipour, M., Ensafi, Ali A., Farrokhpour, H.

“…•New fluorimetric aptasensor developed to measure trace amount of Hg (II).•The assay is based on aggregation of cysteamine-stabilized CdTe/ZnS core/shell…”
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Theoretical insights into the electron affinity of manganese superhalogen compounds; NBO, QTAIM and energy decomposition analysis by Farrokhpour, H., Yousefvand, M., Hadadzadeh, H., Jouypazadeh, H.

“…Superhalogen properties of (X = O, S, and Se; n = 0−7) have been interpreted with the aid of quantum chemical analysis including QTAIM and NBO to determine the…”
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Structures and Photoelectron Spectra of Helium Nano Clusters by Dehdashti-Jahromi, M, Farrokhpour, H

“…The ionization energies and photoelectron spectra of van der Waals (vdW) helium nano clusters (He n ) were studied in this work. Clusters with different…”
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Effect of helium nanoclusters on the spectroscopic properties of embedded SF6: Ionization, excitation and vibration by Dehdashti-Jahromi, M., Farrokhpour, H.

“…Ionization and excitation energies, IR and Raman spectra of sulfur hexafluoride (SF6), located inside helium (He) nanoclusters with different sizes (SF6@Hen;…”
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Molecular dynamics simulation of the hydration of adenosine phosphates by Sohrabi-Mahboub, M., Jahangiri, S., Farrokhpour, H.

“…The hydration behavior of adenosine triphosphate (ATP), adenosine diphosphate (ADP), and adenosine monophosphate (AMP) has been investigated with molecular…”
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Ab initio intermolecular potential energy surfaces of He-CS2, Ne-CS2 and Ar-CS2 complexes by Farrokhpour, H., Tozihi, M.

“…The potential energy surfaces of the He-CS 2 , Ne-CS 2 and Ar-CS 2 van der Waals complexes were calculated for the first time at the CCSD(T) level of theory…”
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Electron affinities of X12O12 (X = Be, Mg, and Ca), X12N12 (X = B, Al, and Ga), and X12P12 (X = B, Al, and Ga) nanocages: NBO calculations and energy decomposition analysis by Farrokhpour, H., Yousefvand, M., Jouypazadeh, H., Hadadzadeh, H.

“…In this research, the electron affinities ( EA s) of a series of nanocages with the general formula of X 12 Y 12 (X = Be, Mg, Ca, B, Al, and Ga; Y = O, N, and…”
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Ag/Pd core-shell nanoparticles by a successive method: Pulsed laser ablation of Ag in water and reduction reaction of PdCl2 by Mottaghi, N., Ranjbar, M., Farrokhpour, H., Khoshouei, M., Khoshouei, A., Kameli, P., Salamati, H., Tabrizchi, M., Jalilian-Nosrati, M.

“…•AgCl/Pd core-shell nanoparticles (NPs) were produced by a successive method.•Firstly, Ag NPs were prepared by laser ablation in water.•To produce bimetallic…”
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Corona discharge ionization of paracetamol molecule: Peak assignment by Bahrami, H., Farrokhpour, H.

“…•Ionization of paracetamol was examined by ion mobility spectrometry equipped with corona discharge ionization sources.•Experimental and theoretical evidence…”
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Theoretical Modeling of the Chirality Discrimination of Enantiomers by Nanotubular Cyclic Peptides using Gas-Phase Photoelectron Spectroscopy: An ONIOM Spectroscopic Calculations by Farrokhpour, H, Karachi, S, Chermahini, A. Najafi

“…In the present work, the chirality recognition of the enantiomers of a chiral molecule (1-phenyl-1-propanol) interacting with a nanotubular cyclic peptide…”
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Stabilized gold nanoparticles by laser ablation in ferric chloride solutions by Nouraddini, M. I., Ranjbar, M., Dobson, P. J., Farrokhpour, H., Johnston, C., Jurkschat, K.

“…In this study, laser ablation of gold was performed in different ferric chloride solutions and water as a reference. The ferric chloride solutions included…”
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Theoretical Evaluation of One-Pot Synthesis of Aliphatic PNP Pincer Ligands by Mohammadnezhad, G., Abad, S., Farrokhpour, H.

“…In this research, one-pot synthesis of aliphatic pincer ligands via S N 2 reaction have been studied using theoretical calculations. The kinetics and…”
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Theoretical and Experimental Study of Valence Photoelectron Spectrum of d,l-Alanine Amino Acid by Farrokhpour, H, Fathi, F, De Brito, A. Naves

“…In this work, the He–I (21.218 eV) photoelectron spectrum of d,l-alanine in the gas phase is revisited experimentally and theoretically. To support the…”
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Linear Yukawa Isotherm Regularity for dense fluids derived based on the perturbation theory by Sohrabi Mahboub, M., Farrokhpour, H., Parsafar, G.A.

“…In the present work, the thermodynamic of dense fluids, both compressed liquids and dense supercritical fluids, has been modeled, solely, based on the…”
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Thermodynamic properties of the freely jointed tangent homonuclear Yukawa chain fluid by Farrokhpour, H., Mahboub, M. Sohrabi

“…► A perturbative expression for the free energy of FJTYC fluid. ► Thermodynamic properties of FJTYC fluid. ► First coordination shell of ASSIRDF of FJTHSC…”
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A new simple analytical expression for the average site–site radial distribution function of hard sphere chain fluid by Farrokhpour, H., Sohrabi Mahboub, M.

“…► A new simple analytical expression for the ASSIRDF of FJTHSC fluid. ► Vapor-liquid equilibria and compressibility factor of FJTSWC fluid. ► Fitting the…”
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