H. Sabzyan

发表

Stepwise MLR and PCR QSAR study of the pharmaceutical activities of antimalarial 3-hydroxypyridinone agents using B3LYP/6-311++G** descriptors

Mohsen Shahlaei, Lotfollah Saghaie, Hassan Sabzyan, 2012, Medicinal Chemistry Research.

Voltammetric oxidation of 2-oxo-1,2,3,4-tetrahydropyrimidin-5-carboxamides: substituent effects.

M. Bagherzadeh, H. Sabzyan, H. Memarian, 2011, The journal of physical chemistry. A.

Effect of torsional motion on the 13C, 1H and 19F NMR chemical shifts in 2,2′-difluorobiphenyl

H. Sabzyan, Behnaz Buzari, 2018 .

Possibility of non-adiabatic level crossing by DFT study of tautomerism and potential energy surfaces in of 3-hydroxy-5-(pyrimidin-2-yl)-2H-pyrrol-2-one and its tautomer

H. Tavakol, H. Sabzyan, 2011 .

Oxinate-Aluminum(III) Nanostructure Assemblies Formed via In-situ and Ex-situ Oxination of Gold-Self-Assembled Monolayers Characterized by Electrochemical, Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy, and X-ray Photoelectron Spectroscopy Methods

H. Sabzyan, R. K. Shervedani, Zeinab Rezvaninia, 2015 .

Correlation between NQR parameters and residue size of aliphatic amino acids and their dimers.

N. Hadipour, H. Sabzyan, A. R. Ghaderi, 2006, Biophysical chemistry.

Computational Study of the Precursor Spectroelectrochemistry of Guanine

H. Sabzyan, F. Tabesh, Hassan Sabzyan, 2020 .

A Minimum Asymmetry Index for Measuring Asymmetry of the Electron Density Distribution

H. Sabzyan, Narges Sadeghpour, 2014 .

Physicochemical Properties of Nanostructured Complexes Formed between Deferrioxamine Siderophore and Zr(IV), Hf(IV), or Fe(III) Metal Ions at the Gold Electrode/Solution Interface: A Comparative Study

H. Sabzyan, F. Yaghoobi, R. Karimi shervedani, 2019, The Journal of Physical Chemistry C.

A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles

H. Sabzyan, M. E. Izadi, M. Izadi, 2020 .

Quantum dynamics of electron capture process during H–He2+ collision

H. Sabzyan, M. Jenabi, 2017, Journal of the Iranian Chemical Society.

Local Energy Dissipation/Transition in Field Effect Molecular Nanoelectronic Systems: a Quantum Mechanical Methodology

H. Sabzyan, R. Safari, 2019, Communications in Theoretical Physics.

Theoretical investigation of azo dyes adsorbed on cellulose fibers: 2. Spectroscopic study

J. Beheshtian, N. Hadipour, H. Sabzyan, 2014, Journal of the Iranian Chemical Society.

Precise description of single and double ionization of hydrogen molecule in intense laser pulses.

B. Shokri, M. Vafaee, H. Sabzyan, 2010, The Journal of chemical physics.

DFT study of the molecular structure of 4,6-diaryl-2-oxo-1,2,3,4-tetrahydropyrimidines

H. Sabzyan, H. Memarian, Esmael Sanchooli, 2016 .

Inter- and intramolecular interactions in 2,3-dihydroquinazolin-4(1H)-ones: molecular structure and conformational analysis

H. Sabzyan, V. M. Nardo, H. Memarian, 2016, Journal of the Iranian Chemical Society.

DFT study of 1-, 4-, and 5-substituted 2-oxo-1,2,3,4-tetrahydropyrimidines: substituent steric and electronic effects, and ring flipping

H. Sabzyan, H. Memarian, M. Ranjbar, 2014, Structural Chemistry.

Substituent effects on the voltammetric studies of 2-oxo-1,2,3,4-tetrahydropyrimidines

H. Sabzyan, H. Memarian, A. Kiani, 2012 .

DFT study of molecular structure of 2-oxo-1,2,3,4-tetrahydropyrimidin-5-carboxamides and their corresponding oxidized forms 2-oxo-1,2-dihydropyrimidin-5-carboxamides

Takayoshi Suzuki, M. Habibi, H. Sabzyan, 2011 .

Computational study of the [(CO)2(benzoate)MII/III(terephthalate)]0/1+ complexes with M = V, Cr, Mn, Fe and Co

H. Shirani, H. Sabzyan, 2019, Computational and Theoretical Chemistry.

Evaluation of the optical properties of the lead-free mixed-halide iron perovskite CH3NH3FeI2Br for application in solar cells: A computational study

H. Sabzyan, Forouzan Ghaderi, 2020 .

A combined computational and experimental study of the [Co(bpy)3](2+/3+) complexes as one-electron outer-sphere redox couples in dye-sensitized solar cell electrolyte media.

M. Zendehdel, M. Oftadeh, H. Sabzyan, 2014, Physical chemistry chemical physics : PCCP.

Sol–gel preparation, structural, thermal and spectroscopic analyses, and opto-electronic and photocatalytic activities of normal spinel nickel cobaltite nano-powder for photo-degradation of Reactive Red RB

M. Habibi, H. Sabzyan, M. Bayranvand, 2017, Journal of Materials Science: Materials in Electronics.

Experimental and theoretical study of proton spin-lattice relaxation in H2-Ar gas mixtures: critical examination of the XC(fit) potential energy surface.

H. Sabzyan, W. Power, F. McCourt, 2004, The Journal of chemical physics.

Deuteron spin-lattice relaxation times in D2–Ar mixtures: A combined experimental and theoretical study

H. Sabzyan, W. Power, F. McCourt, 1998 .

Proton and deuteron spin-lattice relaxation times in HD–Ar mixtures: A combined experimental and theoretical study

H. Sabzyan, W. Power, F. McCourt, 1998 .

Basis set effects on the intermolecular interaction of the F2–F2 system

M. R. Noorbala, H. Sabzyan, 2003 .

Detailed mapping of intramolecular energy transfer in field-effect single-molecule nanoelectronic devices

H. Sabzyan, R. Safari, R. Safari, 2014, Journal of the Iranian Chemical Society.

Electric field effects on the growth of flame-synthesized nanosilica: a two-stage modeling

Farhad Ghalami, H. Sabzyan, 2019, Journal of the Iranian Chemical Society.

Photooxidation of 3,5-diaryl-1-phenyl-2-pyrazolines: Experimental and computational studies

H. Sabzyan, H. Memarian, M. Soltani, 2020 .

A Theoretical Study of 1-D and 2-D Helium Lattices

H. Sabzyan, Farzaneh Zanjanchi, 2007 .

Theoretical study of chloropyrroles as monomers for new conductive polymers.

A. Omrani, H. Sabzyan, 2005, The journal of physical chemistry. A.

Theoretical study of the contribution of vibrational motions to nuclear shielding constants

H. Sabzyan, Behnaz Buzari, 2008 .

DFT study of molecular structure and electronic properties of fluoromethylpyrrole oligomers including di-, tri- and tetramer

H. Sabzyan, H. Nikoofard, 2007 .

Computational study of the CO elimination reaction of cyclopropylmethoxy carbenes

H. Sabzyan, B. Sohrabi, M. Kiasadegh, 2013 .

Computational study of adamantanes using floating basis functions

H. Sabzyan, Behnaz Saed, 2014, Structural Chemistry.

Computational Study of the Dissolution of Some Atomic and Diatomic Species in the Square and Hexagonal 2‐D Helium Lattices

H. Sabzyan, Farzaneh Zanjanchi, 2008 .

NMR and DFT Studies of 2-Oxo-1,2,3,4-tetrahydropyridines: Solvent and Temperature Effects

H. Sabzyan, H. Memarian, M. Kalantari, 2018 .

Experimental and computational spectroscopic studies of 3,5-disubstituted 4,5-dihydro-1,2,4-oxadiazoles

H. Sabzyan, H. Memarian, Mehrnoosh Asgari, 2020 .

DFT and structural studies of 2-oxo-1,2,3,4-tetrahydropyridines

H. A. Rudbari, H. Sabzyan, H. Memarian, 2017 .

Substituent effect on the tautomerism of 5-acetyl-2-methoxydihydropyrimidines: experimental NMR and computational DFT studies

H. Sabzyan, H. Memarian, M. Ranjbar, 2014, Journal of the Iranian Chemical Society.

Molecular structure and conformational analysis of two 2-oxo(thioxo)-1,2,3,4-tetrahydropyrimidine-5-esters

Takayoshi Suzuki, M. Habibi, H. Sabzyan, 2013 .

Ultrasound-assisted dehydrogenation of 5-acetyl-3,4-dihydropyrimidin-2(1H)-ones.

H. Sabzyan, H. Memarian, A. Farhadi, 2010, Ultrasonics sonochemistry.

Photo-oxidation of 5-acetyl-3,4-dihydropyrimidin-2(1H)-ones

H. Sabzyan, H. Memarian, A. Farhadi, 2010 .

Computational study of [(phenanthroline)2FeII/III–(terephthalate)–CoIII/II(phenanthroline)2]3+ binuclear complex

H. Shirani, H. Sabzyan, 2019, Structural Chemistry.

Cyclic Voltammetric Study of 3,5-Diaryl-1-phenyl-2-pyrazolines.

H. Sabzyan, H. Memarian, M. Soltani, 2019, The journal of physical chemistry. A.

Light-induced dehydrogenation of 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamides

H. Sabzyan, H. Memarian, M. Soleymani, 2012, Journal of the Iranian Chemical Society.

DFT study of the molecular structure of 3,4-dihydropyrimidin-2(1H)-ones

H. Sabzyan, H. Memarian, A. Farhadi, 2010 .

Microwave-Assisted Oxidation of 3,4-Dihydropyrimidin-2(1H)-ones.

H. Sabzyan, H. Memarian, A. Farhadi, 2009 .

Spectroscopic studies of aryl substituted 1-phenyl-2-pyrazolines: Steric and electronic substitution effects

H. Sabzyan, H. Memarian, M. Soltani, 2018, Journal of Molecular Structure.

Microwave-assisted Oxidation of 3,4-Dihydropyrimidin-2(1H)-ones

H. Sabzyan, H. Memarian, A. Farhadi, 2009 .

Conformational analysis of some unsymmetrically substituted 1,4-dihydropyridines

H. Sabzyan, H. Memarian, M. Abdoli-Senejani, 2007 .

Synthesis and structure of a-azo-2-ketomethylquinolines

H. Sabzyan, H. Loghmani-Khouzani, A. Rezaei-Pooranari, 2008 .

A molecular dynamics study on magnetic imidazolium-based ionic liquids: the effect of an external magnetic field.

Majid Moosavi, Azadeh Daneshvar, H. Sabzyan, 2020, Physical chemistry chemical physics : PCCP.

Photoinduced electron transfer ring opening of α-epoxyketones using 7,7,8,8-tetracyano-p-quinodimethane (TCNQ)

F. Nikpour, H. Sabzyan, H. Memarian, 2007 .

Diatomic dications and dianions

H. Sabzyan, H. Sabzyan, Elham Keshavarz, 2014, Journal of the Iranian Chemical Society.

Ab initio and DFT study of carbon monoxide cyclic oligomers, (CO)2 to (CO)6

M. R. Noorbala, H. Sabzyan, 2003 .

Evaluation of the B3LYP and HSE06 density functionals in the calculation of spectroscopic properties of the HCl2+ dication

H. Sabzyan, Elham Keshavarz, Zeinab Noorisafa, 2015, Journal of the Iranian Chemical Society.

A theoretical study of the dimerization of 1,2-dithia-4-cyclohexene (or 3,6-dihydro-1,2-dithiin), and its corresponding O, N and Se-substituted relatives

S. Javadian, H. Sabzyan, 2005 .

Reactive Molecular Dynamics Simulation of the Structural Damages of the B-DNA Induced by the Oxidation/Nitration of Guanine.

H. Sabzyan, M. E. Izadi, M. Izadi, 2022, The journal of physical chemistry. B.

Metastable excited states of OBr2- and OCl2- dianions.

H. Sabzyan, Elham Keshavarz, Zeinab Noorisafa, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, characterization, and dye degradation photocatalytic activity of the nano-size copper iron binary oxide

M. Habibi, H. Sabzyan, M. Mirzaei, 2021, Environmental Science and Pollution Research.

Electrochemical probe of natural DNA attached onto the gold–thiol SAMs via Zr(IV) ion glue

S. Pourbeyram, H. Sabzyan, R. K. Shervedani, 2011 .

Cyclic voltammetric and DFT computational studies of 3,5-disubstituted 4,5-dihydro-1,2,4-oxadiazoles: Steric and electronic effects

H. Sabzyan, H. Memarian, M. Asgari, 2023, Journal of Molecular Structure.

Electron-transfer induced photo-oxidation of 4,5-dihydro-1,2,4-oxadiazoles: Experimental and computational studies

H. Sabzyan, H. Memarian, M. Asgari, 2022, Journal of Photochemistry and Photobiology A: Chemistry.

Nanostructure Molecular Assemblies Constructed Based on Ex-Situ and In-Situ Layer-by-Layer Ferrioxamation Characterized by Electrochemical and Scanning Tunneling Microscopy Methods

Hassan Sabzyan, H. Sabzyan, R. K. Shervedani, 2011 .

A Computational Study of 3-D Helium Clusters

H. Sabzyan, Farzaneh Zanjanchi, 2007 .

Theoretical investigation of azo dyes adsorbed on cellulose fibers: 1. Electronic and bonding structures

J. Beheshtian, N. Hadipour, H. Sabzyan, 2013, Journal of the Iranian Chemical Society.

Characterization of gold-thiol-8-hydroxyquinoline self-assembled monolayers for selective recognition of aluminum ion using voltammetry and electrochemical impedance spectroscopy.

H. Sabzyan, R. K. Shervedani, Zeinab Rezvaninia, 2014, Analytica chimica acta.

Theoretical studies on the deacylation step of acylated Candida Antarctica lipase B: structural and reaction pathway analysis.

M. Housaindokht, H. Sabzyan, Mohammad Sadegh Sadeghi Googheri, 2015, Journal of molecular graphics & modelling.

Reaction mechanism and free energy profile for acylation of Candida Antarctica lipase B with methylcaprylate and acetylcholine: density functional theory calculations.

M. Housaindokht, H. Sabzyan, M. S. Googheri, 2014, Journal of molecular graphics & modelling.

IONIZATION OF A 1-D MODEL OF H2 + FROM DIFFERENT STATES IN INTENSE LASER FIELD*

H. Sabzyan, H. Ebadi, 2009 .

Electron spin fluctuation in intense laser fields.

H. Sabzyan, Youssef Korani, 2017, Physical chemistry chemical physics : PCCP.

Spin dynamics in HeH2+ molecular ion in intense laser fields.

H. Sabzyan, Youssef Korani, 2016, Physical chemistry chemical physics : PCCP.

Ground and excited states of the diatomic dianion Cl2(2-).

H. Sabzyan, Elham Keshavarz, Zeinab Noorisafa, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

DFT STUDY OF ONE-DIMENSIONAL LITHIUM LATTICES AS NANOWIRES

H. Sabzyan, F. Mohammadi, 2004 .

Bistability of an iron‐cobalt binuclear complex

H. Shirani, H. Sabzyan, 2018, International Journal of Quantum Chemistry.

Electron quantum dynamics in atom-ion interaction.

H. Sabzyan, M. Jenabi, 2016, The Journal of chemical physics.

Evolution of the H2+ electron wavepacket under magnetic and electric fields of ultrashort intense laser pulse

H. Sabzyan, H. Ebadi, 2009 .

Contribution of the pre-ionized H2 and the ionized H2+ subsystems to the HHG Spectra of H2 in intense laser fields

M. Vafaee, H. Sabzyan, Behnaz Buzari, 2017, 1712.01596.

High harmonic generation from pre-ionized H2 in ultrashort intense laser fields

M. Vafaee, H. Sabzyan, Behnaz Buzari, 2013, 1309.6153.

A detailed and precise study of the ionization rates of H+2 in intense laser fields

M. Vafaee, H. Sabzyan, 2004 .

Computational study of aza-adamantanes as multivalent bases

H. Sabzyan, Behnaz Saed, 2012, Structural Chemistry.

A MP2/6-31G* intermolecular potential energy surface for the F2–F2 system

M. R. Noorbala, H. Sabzyan, 2004 .

Investigation of iron carbide (Fe3C) corrosion in water and acidic solution using ReaxFF molecular dynamics

H. Sabzyan, N. Farzi, M. Izadi, 2020 .

Single and binary adsorption of nickel and copper from aqueous solutions by γ-alumina nanoparticles: Equilibrium and kinetic modeling

M. Beheshti, H. Sabzyan, Malihe Fouladgar, 2015 .

Evaluating equilibrium and kinetics of CO2 and N2 adsorption into amine-functionalized metal-substituted MIL-101 frameworks using molecular simulation

M. Talaie, Pu Chen, S. Aghamiri, 2022, Fuel.

Electric field effects on the performance of a candidate multipole molecular switch: A quantum computational study

Hassan Sabzyan, Davood Farmanzadeh, H. Sabzyan, 2007, J. Comput. Chem..

Characterization of a candidate multi-pole molecular switch using computational techniques

H. Sabzyan, D. Farmanzadeh, 2008, Journal of molecular modeling.

Quantum computational study of non-linear optical properties of some phenanthrene derivatives.

H. Sabzyan, Behnaz Saed, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Elucidation of Molecular Mechanisms Behind the Self-Assembly Behavior of Chitosan Amphiphilic Derivatives Through Experiment and Molecular Modeling

K. Mahnam, A. Fassihi, F. Dorkoosh, 2015, Pharmaceutical Research.

Halomethylpyrroles as candidate monomers for conducting polymers: a theoretical study

H. Sabzyan, H. Nikoofard, 2004 .

RETRACTED: A theoretical study of the bonding structure of carbonyl sulfide, OCS

M. Bamdad, H. Sabzyan, 2004 .

Intramolecular thermoelectric-like effects in field-effect molecular nanoelectronic devices

H. Sabzyan, R. Safari, 2012 .

Effect of nuclear motion on high-order-harmonic generation of H 2 + in intense ultrashort laser pulses

A. Niknam, M. Vafaee, A. Maghari, 2014, 1407.5458.

Elucidation of Molecular Mechanisms Behind the Self-Assembly Behavior of Chitosan Amphiphilic Derivatives Through Experiment and Molecular Modeling

K. Mahnam, A. Fassihi, F. Dorkoosh, 2015, Pharmaceutical Research.

Stepwise MLR and PCR QSAR study of the pharmaceutical activities of antimalarial 3-hydroxypyridinone agents using B3LYP/6-311++G** descriptors

M. Shahlaei, L. Saghaie, H. Sakhi, 2013, Medicinal Chemistry Research.

Nano-sized local magnetic field induced by circular motion of ions and molecules in a nanotorus under gigahertz rotating electric fields

H. Sabzyan, Maryam Kowsar, 2018, Molecular Physics.

Proton conductivity of β-PCMOF2 in different temperatures and external electric fields: an insight from molecular dynamics simulation

H. Sabzyan, N. Farzi, F. Rahimi, 2020 .

Detailed instantaneous ionization rate of H~2^+ in an intense laser field (10 pages)

M. Vafaee, Ali Katanforoush, H. Sabzyan, 2006, physics/0606091.

Computational study of iron perovskite CH3NH3FeI3 as an alternative to the lead perovskite CH3NH3PbI3 for application in solar cells

H. Sabzyan, Forouzan Ghaderi, 2020, Journal of physics. Condensed matter : an Institute of Physics journal.

Molecular dynamics simulation of the cyclotron motion of ions in a carbon nanotorus induced by gigahertz rotating electric field

H. Sabzyan, Maryam Kowsar, 2018 .

Molecular dynamics simulations of electric field induced water flow inside a carbon nanotorus: a molecular cyclotron.

H. Sabzyan, Maryam Kowsar, 2017, Physical chemistry chemical physics : PCCP.

Characterization of the flow of the CO/CO2 gases through carbon nanotube junctions using molecular dynamic simulations

H. Sabzyan, Z. Tavangar, 2009 .

Molecular dynamics simulation of gas diffusion in polyethylene-clay nanocomposites with different silicate layers configurations

H. Sabzyan, A. H. Navarchian, A. Alirezaie, 2016, Polymer Science Series A.

Computational comparison of the application of doping, functionalization and ion exchanged of adsorbent structures on the pressure swing adsorption

M. Talaie, S. Aghamiri, H. Sabzyan, 2020 .

Photo-oxidation of phenylazonaphthol dyes and their reactivity analysis in the gas phase and adsorbed on cellulose fibers states using DFT and TD-DFT

Nasser L. Hadipour, Javad Beheshtian, Hassan Sabzyan, 2011 .

STM characterization of DNA immobilized via Zr ion glue onto gold thiol SAMs

S. Pourbeyram, H. Sabzyan, R. K. Shervedani, 2013 .

A semiempirical quantum mechanical study of methane–graphite interaction

H. Sabzyan, Mahnaz Babajani, 2005 .

Diffusion of hydrogen molecules in MOF-508a with a reversible open-dense framework: A computational study

H. Sabzyan, N. Farzi, N. Salehi, 2017 .

Reaction mechanism and free energy profile for acylation of Candida Antarctica lipase B with methylcaprylate and acetylcholine: density functional theory calculations.

M. Housaindokht, H. Sabzyan, M. S. Googheri, 2014, Journal of molecular graphics & modelling.

A Monte Carlo Simulation of the Adsorption of CO 2 and SO 2 Gases in Pure and Functionalized Single Walled Carbon Nanotubes

S. Aghamiri, H. Sabzyan, Z. Nickmand, 2014 .

Molecular Dynamics Simulation of Electrons in Gold Nanoparticles

H. Sabzyan, M. Salandari, 2020, Acta Physica Polonica A.

Ultrasound-assisted dehydrogenation of 5-acetyl-3,4-dihydropyrimidin-2(1H)-ones.

H. Sabzyan, H. Memarian, A. Farhadi, 2010, Ultrasonics sonochemistry.

Extension of the exp-6 model to the simulation of vapor-liquid equilibria of primary alcohols and their mixtures

Seyed Foad Aghamiri, Hassan Sabzyan, F. Seyedeyn-Azad, 2011 .

Ab initio RHF and density functional B3LYP and B3PW91 study of (NPF2)n; n = 2, 3, 4 and (NPX2)3; X = H, Cl, Br cyclic phosphazenes

H. Sabzyan, Z. Kalantar, 2003 .

Ground and excited states of the diatomic dianion Cl2(2-).

H. Sabzyan, Elham Keshavarz, Zeinab Noorisafa, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.