N. Hadipour

发表

DFT study of NH3 adsorption on pristine, Ni- and Si-doped graphynes

Nasser L. Hadipour, Ali Ahmadi Peyghan, A. A. Peyghan, 2014 .

A study of hydrogen bond effects on the oxygen, nitrogen, and hydrogen electric field gradient tensors in the active site of human dehydroepiandrosterone sulphotransferase: A density-functional theory based treatment

Emran Heshmati, N. Hadipour, Chun-Jung Chen, 2016 .

Computational study on the characteristics of the interaction in linear urea clusters

J. Beheshtian, N. Hadipour, M. Esrafili, 2011 .

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

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

A computational investigation of the electronic properties of Octahedral AlnNn and AlnPn cages (n = 12, 16, 28, 36, and 48)

N. Hadipour, M. Anafcheh, Reza Ghafouri, 2013, Structural Chemistry.

Understanding the nanoparticle-protein corona complexes using computational and experimental methods.

N. Hadipour, M. Ejtehadi, B. Kharazian, 2016, The international journal of biochemistry & cell biology.

Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde

Z. Bagheri, N. Hadipour, Mohammad Kamfiroozi, 2012 .

Can aluminum nitride nanotubes detect the toxic NH3 molecules

A. A. Peyghan, N. Hadipour, A. Omidvar, 2012 .

In vitro study of folate-conjugated silver nanoparticles for enhanced anticancer activity

N. Hadipour, N. Mollania, Fahimeh Mollania, 2019 .

Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies

A. A. Peyghan, Z. Bagheri, N. Hadipour, 2013 .

Noncovalent intermolecular interactions between dehydroepiandrosterone and the active site of human dehydroepiandrosterone sulphotransferase: A density functional theory based treatment

Emran Heshmati, N. Hadipour, Chun-Jung Chen, 2016 .

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.

Relaxations of fluorouracil tautomers by decorations of fullerene-like SiCs: DFT studies

N. Hadipour, M. Mirzaei, A. Kouchaki, 2016 .

A study of hydrogen bond of imidazole and its 4-nitro derivative by ab initio and DFT calculated NQR parameters

F. Elmi, N. Hadipour, S. K. Amini, 2004 .

PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative study using DFT method

N. Hadipour, A. Ebrahim-Habibi, Farideh Badalkhani-Khamseh, 2021, Journal of Nanoparticle Research.

Role of spin state on the geometry and nuclear quadrupole resonance parameters in hemin complex.

D. van der Spoel, N. Hadipour, M. Esrafili, 2008, Biophysical chemistry.

Deuterium double-transition quadrupole-resoname spectra and the structures of catechol, resorcinol, and hydroquinone

N. Hadipour, R. O. Day, J. Ragle, 1984 .

Chemisorption of NH3 at the open ends of boron nitride nanotubes: a DFT study

J. Beheshtian, N. Hadipour, A. Ahmadi, 2011 .

Study of hydrogen bonds in N-methylacetamide by DFT calculations of oxygen, nitrogen, and hydrogen solid-state NMR parameters

N. Hadipour, M. Mirzaei, 2008 .

A computational NICS and 13C NMR characterization of BN-substituted 60C fullerenes

N. Hadipour, M. Anafcheh, 2011 .

Hydrogen Bonds of Peptide Group in Four Acetamide Derivatives: DFT Study of Oxygen and Nitrogen NQR and NMR Parameters

M. Mirzaei, N. Hadipour, M. Mirzaei, 2010 .

Density functional calculations of oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors to study hydrogen bonding properties of peptide group (O=C-NH) in crystalline acetamide.

N. Hadipour, M. Mirzaei, Z. Samadi, 2008, Journal of molecular graphics & modelling.

A DFT study on the functionalization of C60 fullerene with 1,2-benzoquinone

N. Hadipour, Mehrnoosh Khodam Hazrati, 2016 .

Electronic structure characterization of FeIII-protoporphyrin IX (FeIII-PPIX) and β-hematin using calculated nuclear quadrupole resonance (NQR) and Mössbauer parameters

N. Hadipour, M. Rafiee, 2008 .

Investigation of the effects of ionic hydrogen bonds (CO−⋯H–C and +N–H⋯−OC) in crystalline dl-proline by ab initio and DFT calculated NQR parameters

A. Mohebbi, N. Hadipour, S. Nasseri, 2007 .

Investigation hydrogen-bonding capabilities of modified amide groups using calculated nuclear quadruple coupling constants

F. Elmi, N. Hadipour, F. Safinezhad, 2003 .

Ab initio calculations of NQR 35Cl frequency in organo-germanium chlorides and its dependency on Ge–O distance

N. Hadipour, M. Javaheri, M. Rafiee, 2002 .

Response of Si- and Al-doped graphenes toward HCN: A computational study

A. A. Peyghan, Somayeh F. Rastegar, N. Hadipour, 2013 .

PEGylated PAMAM Dendrimers as Eptifibatide Nanocarriers: An Atomistic View from Molecular Dynamics Simulations

M. Behmanesh, N. Hadipour, A. Ebrahim-Habibi, 2022, Chemical Engineering Science.

DFT explorations of quadrupole coupling constants for planar 5-fluorouracil pairs

N. Hadipour, M. Mirzaei, O. Gulseren, 2016 .

Covalent hybridization of CNT by thymine and uracil: A computational study

N. Hadipour, M. Mirzaei, H. Kalhor, 2011, Journal of molecular modeling.

Synthesis and structural characterization of triorganotin(IV) methoxyacetates: Correlation of ^{13}C CPMAS NMR spectroscopy with single crystal structure

A. Azadmehr, M. Amini, N. Hadipour, 2011 .

Synthesis and structural characterization of diorganotin(IV) complexes with 2,6‐pyridinedicarboxylic acid

H. Khavasi, M. Amini, N. Hadipour, 2008 .

Characteristics and nature of halogen bonds in linear clusters of NCX (X=Cl, and Br): an ab initio, NBO and QTAIM study

N. Hadipour, M. Esrafili, 2011 .

DENSITY FUNCTIONAL THEORY STUDY OF BINDING ENERGIES, 7Li NUCLEAR MAGNETIC SHIELDING, AND ELECTRIC FIELD GRADIENT TENSORS ON THE SMALL CLUSTERS OF LinHm (m ≤ n ≤ 4)

F. Elmi, N. Hadipour, M. Esrafili, 2007 .

Semi-empirical quantum mechanical calculations of electronic distribution and NQR parameters of bromine atoms in some organic and inorganic compounds

S. Javadian, N. Hadipour, 2000 .

Theoretical study of N–H· · ·O hydrogen bonding properties and cooperativity effects in linear acetamide clusters

N. Hadipour, M. Esrafili, H. Behzadi, 2008 .

Molecular engineering of bithiazole-based organic dyes with different electron-rich linkers toward highly efficient dye-sensitized solar cells

N. Hadipour, G. Parsafar, Elaheh Hosseinzadeh, 2017 .

Cubane cluster surface for pyrimidine nucleobases relaxation: DFT approach

O. Gülseren, N. Hadipour, M. Mirzaei, 2021 .

Influence of C-Doping on the B-11 and N-14 Quadrupole Coupling Constants in Boron-Nitride Nanotubes: A DFT Study

M. Abolhassani, N. Hadipour, M. Mirzaei, 2007 .

A systematic investigation of hydrogen-bonding effects on the 17O, 14N, and 2H nuclear quadrupole resonance parameters of anhydrous and monohydrated cytosine crystalline structures: a density functional theory study.

F. Elmi, N. Hadipour, M. Mirzaei, 2006, The journal of physical chemistry. B.

Molecular interactions investigated with DFT calculations of QTAIM and NBO analyses: An application to dimeric structures of rice α-amylase/subtilisin inhibitor

N. Hadipour, Chun-Jung Chen, Elahe K. Astani, 2017 .

DFT Studies of NH-Cl Hydrogen Bond of Amino Acid Hydrochloride Salts in Ion Channels.

N. Hadipour, Setareh Shekarsaraei, M. Moridi, 2016, Acta chimica Slovenica.

A density functional study of 17O, 14N and 2H electric field gradient tensors in the real crystalline structure of α-glycine

N. Hadipour, M. Mirzaei, H. Behzadi, 2007 .

A density functional study of 14N NQR parameters of imidazole derivatives and extrapolation to PfHRP2–Fe3+-PPIX complex

A. Mohebbi, N. Hadipour, S. Nasseri, 2007 .

A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR parameters and QTAIM analysis.

Emran Heshmati, N. Hadipour, Chun-Jung Chen, 2016, Journal of molecular graphics & modelling.

A theoretical study of 17O, 14N and 2H nuclear quadrupole coupling tensors in the real crystalline structure of acetaminophen

N. Hadipour, M. Esrafili, H. Behzadi, 2007 .

AB INITIO CALCULATIONS OF 14N NQR PARAMETERS AND 13C, 1H, AND 15N CHEMICAL SHIFTS INCLUDING A COMPARISON WITH EXPERIMENTAL NMR DATA FOR CYCLOTRISAZOBENZENE

A. Aliakbar, N. Hadipour, N. Zamand, 2009 .

Characterization of cooperative effects in linear alpha-glycylglycine clusters.

N. Hadipour, M. Esrafili, A. Bahrami, 2009, Biophysical chemistry.

Density functional theory study of N-H...O, O-H...O and C-H...O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine.

N. Hadipour, M. Esrafili, H. Behzadi, 2008, Biophysical chemistry.

A density functional study of 15N chemical shielding tensors in quinolines

D. Spoel, J. Beheshtian, N. Hadipour, 2009 .

DFT study of NH3 adsorption on the (5,0), (8,0), (5,5) and (6,6) single-walled carbon nanotubes. Calculated binding energies, NMR and NQR parameters

J. Beheshtian, N. Hadipour, M. Esrafili, 2010 .

Study of hydrogen bonds in 1-methyluracil by DFT calculations of oxygen, nitrogen, and hydrogen quadrupole coupling constants and isotropic chemical shifts

N. Hadipour, M. Mirzaei, 2007 .

An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline structure: a density functional theory study.

N. Hadipour, M. Mirzaei, 2006, The journal of physical chemistry. A.

Theoretical investigation on the selective detection of SO2 molecule by AlN nanosheets

Somayeh F. Rastegar, N. Hadipour, H. Soleymanabadi, 2014, Journal of Molecular Modeling.

Adsorption behavior of 5-fluorouracil on pristine, B-, Si-, and Al-doped C60 fullerenes: A first-principles study

Nasser L. Hadipour, N. Hadipour, Mehrnoosh Khodam Hazrati, 2016 .

A deuterium NQR study of imidazolidone, imidazolidone hemihydrate, phthalimide, and benzamide

N. Hadipour, R. O. Day, J. Ragle, 1986 .

Characterization of cooperative effects in linear alpha-glycylglycine clusters.

N. Hadipour, M. Esrafili, A. Bahrami, 2009, Biophysical chemistry.

Quantitation of model digestive mixtures

N. Hadipour, R. Stark, Dehua Wag, 1992 .

Structure and Energetics of Complexes of B12N12 with Hydrogen Halides-SAPT(DFT) and MP2 Study.

Sirous Yourdkhani, Tatiana Korona, Sirous Yourdkhani, 2015, The journal of physical chemistry. A.

Turkish Computational and Theoretical Chemistry

O. Gülseren, N. Hadipour, M. Mirzaei, 2021 .

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.

The effect of surface curvature of aluminum nitride nanotubes on the adsorption of NH3

J. Beheshtian, N. Hadipour, Mohammad Kamfiroozi, 2011 .

A study on the intermolecular hydrogen bonds of alpha-glycylglycine in its actual crystalline phase using ab initio calculated 14N and 2H nuclear quadrupole coupling constants.

F. Elmi, N. Hadipour, 2005, The journal of physical chemistry. A.

Density functional theory studies of carbon nanotube—graphene nanoribbon hybrids

N. Hadipour, A. Omidvar, 2013, Journal of the Iranian Chemical Society.

Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry‐adapted perturbation theory, Møller‐Plesset, and quantum theory of atoms‐in‐molecules study

Sirous Yourdkhani, Tatiana Korona, Nasser L. Hadipour, 2015, J. Comput. Chem..

Exploration of phosphorene as doxorubicin nanocarrier: An atomistic view from DFT calculations and MD simulations.

N. Hadipour, Razieh Esfandiarpour, Farideh Badalkhani-Khamseh, 2022, Colloids and surfaces. B, Biointerfaces.

Investigation of host-guest interactions between polyester dendrimers and ibuprofen using density functional theory (DFT)

N. Hadipour, A. Ebrahim-Habibi, Farideh Badalkhani-Khamseh, 2020 .

Complexation of nicotinic acid with first generation poly(amidoamine) dendrimers: A microscopic view from density functional theory

N. Hadipour, A. Ebrahim-Habibi, A. Bahrami, 2017 .

A DFT study on doping assisted changing of B80 electronic structure: Promising candidates for NH3 sensor

Sirous Yourdkhani, N. Hadipour, M. Esrafili, 2014 .

The Role of Charge Distribution on the Antimalarial Activity of Artemisinin Analogues

Nasser L. Hadipour, Marjan A. Rafiee, Hossein Naderi-manesh, 2005, J. Chem. Inf. Model..

Influence of dendrimer surface chemistry and pH on the binding and release pattern of chalcone studied by molecular dynamics simulations

N. Hadipour, A. Ebrahim-Habibi, Farideh Badalkhani-Khamseh, 2018, Journal of molecular recognition : JMR.

Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.

F. Elmi, N. Hadipour, M. Esrafili, 2007, The journal of physical chemistry. A.

Density Functional Theory Study of Boron Nitride Nanotubes: Calculations of the N-14 and B-11 Nuclear Quadrupole Resonance Parameters

M. Abolhassani, Z. Bagheri, N. Hadipour, 2008 .

A computational proof toward correlation between the theoretical chemical concept of electrophilicity index for the acceptors of C60 and C70 fullerene derivatives with the open-circuit voltage of polymer-fullerene solar cells

N. Hadipour, M. Anafcheh, Reza Ghafouri, 2012 .

Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors

Nasser L. Hadipour, Ali Ahmadi Peyghan, A. A. Peyghan, 2015 .

DFT studies of acrolein molecule adsorption on pristine and Al- doped graphenes

Somayeh F. Rastegar, N. Hadipour, M. B. Tabar, 2013, Journal of Molecular Modeling.

NO2 detection by nanosized AlN sheet in the presence of NH3: DFT studies

H. R. Ghenaatian, A. A. Peyghan, Somayeh F. Rastegar, 2013 .

Density functional study of zigzag BN nanotubes with equivalent ends

N. Hadipour, M. Mirzaei, A. Seif, 2008 .

Density functional theory study of atomic oxygen, O2 and O3 adsorptions on the H-capped (5,0) single-walled carbon nanotube

N. Hadipour, M. Esrafili, Rabeeh Khorrampour, 2009 .

Bare surface of gold nanoparticle induces inflammation through unfolding of plasma fibrinogen

M. Mahmoudi, Forough Ghasemi, M. Shokrgozar, 2018, Scientific Reports.

Investigating purine-functionalised carbon nanotubes and their properties: a computational approach.

M. Mirzaei, N. Hadipour, H. Kalhor, 2011, IET nanobiotechnology.

The C-doped zigzag AlN nanotube: A computational NMR study

N. Hadipour, M. Mirzaei, A. Seif, 2008 .

Density functional calculations of 14N and 11B NQR parameters in the H-capped (6,0) and (4,4) single-walled BN nanotubes

N. Hadipour, M. Mirzaei, 2008 .

Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: sulfamerazine and sulfathiazole.

J. Beheshtian, N. Hadipour, M. Esrafili, 2008, Journal of molecular graphics & modelling.

Study of CO⋯HN Hydrogen bond interactions in amyloid beta (Aβ): A DFT study of the electric field gradient and CS tensors and NBO analysis

L. Karami, N. Hadipour, M. Mousavi-khoshdel, 2011 .

Study of hydrogen bonds in crystalline 5-nitrouracil. Density functional theory calculations of the O-17, N-14, and H-2 nuclear quadrupole resonance parameters

N. Hadipour, M. Mirzaei, 2009 .

A computational NQR study on the hydrogen‐bonded lattice of cytosine‐5‐acetic acid

Nasser L. Hadipour, Mahmoud Mirzaei, N. Hadipour, 2008, J. Comput. Chem..

Theoretical investigation of hydrogen bonding effects on oxygen, nitrogen, and hydrogen chemical shielding and electric field gradient tensors of chitosan/HI salt.

N. Hadipour, M. Kasaai, Sajjad Khodaei, 2007, Carbohydrate research.

Influence of N-H...O and O-H...O hydrogen bonds on the (17)O, (15)N and (13)C chemical shielding tensors in crystalline acetaminophen: a density functional theory study.

N. Hadipour, M. Esrafili, H. Behzadi, 2007, Biophysical chemistry.

Investigation of C-H...O=C and N-H...OC hydrogen-bonding interactions in crystalline thymine by DFT calculations of O-17, N-14 and H-2 NQR parameters.

N. Hadipour, M. Mirzaei, K. Ahmadi, 2007, Biophysical chemistry.

A computational study of water adsorption on boron nitride nanotube

J. Beheshtian, N. Hadipour, M. Esrafili, 2010 .

A DFT exploration of structural and electronic properties of a photoswitchable octapeptide cyclized with (4-aminomethyl)phenylazobenzoic acid

N. Hadipour, F. Ektefa, M. Anafche, 2011 .

Density functional calculations on 11B and 15N chemical shielding tensors of small boron nitride nanotubes and graphitic sheet

M. Abolhassani, Z. Bagheri, N. Hadipour, 2008 .

Interaction of NH3 with aluminum nitride nanotube: Electrostatic vs. covalent

J. Beheshtian, N. Hadipour, A. Ahmadi, 2011 .

1H and 29Si NMR investigation of SinHn polysilanes with n≤60: A DFT study

N. Hadipour, M. Anafcheh, Reza Ghafouri, 2012 .

DFT, QTAIM, and NBO studies on the trimeric interactions in the protrusion domain of a piscine betanodavirus.

N. Hadipour, Chun-Jung Chen, H. Guan, 2017, Journal of molecular graphics & modelling.

Density functional theory evaluation of pristine and BN-doped biphenylene nanosheets to detect HCN

N. Hadipour, M. Hosseini, A. Bahrami, 2019, Journal of Molecular Modeling.

Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a first principles approach

P. Giannozzi, D. Vanpoucke, N. Hadipour, 2020, RSC advances.

The electronic and structural responses of B12N12 nanocage toward the adsorption of some nonpolar X2 molecules: X = (Li, Be, B, N, O, F, Cl, Br, I): A DFT approach

N. Hadipour, A. Bahrami, M. Qarai, 2017 .

Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers

Nasser L. Hadipour, Farideh Badalkhani-Khamseh, Azadeh Ebrahim-Habibi, 2017, Journal of Computer-Aided Molecular Design.

Theoretical studies of phosphorene as a drug delivery nanocarrier for fluorouracil

N. Hadipour, Razieh Esfandiarpour, Farideh Badalkhani-Khamseh, 2023, RSC advances.

A correlation study of quinoline derivatives and their pharmaceutical behavior by ab initio calculated NQR parameters

Nasser L. Hadipour, Marjan A. Rafiee, Hossein Naderi-manesh, 2004, J. Comput. Aided Mol. Des..

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 .

A molecular dynamics study on the thermal properties of carbon-based gold nanoparticles

N. Hadipour, A. A. Ahmad, B. Kharazian, 2020, Journal of Molecular Modeling.

The C–H···O Hydrogen Bonding Effects on the 17O Electric Field Gradient and Chemical Shielding Tensors in Crystalline 1-Methyluracil: A DFT Study

N. Hadipour, M. Mirzaei, T. Partovi, 2006 .

The influence of the structural variations of the fused electron rich-electron deficient unit in the π-spacer of A-D-π-D-A organic dyes on the efficiency of dye-sensitized solar cells: A computational study

N. Hadipour, Elaheh Hosseinzadeh, 2018, Organic Electronics.

A computational investigation on the influence of different π spacer groups in the bithiazole-based organic dye sensitizers on the short-circuit photocurrent densities of dye-sensitized solar cells

N. Hadipour, G. Parsafar, Elaheh Hosseinzadeh, 2017 .

Tracing chirality, diameter dependence, and temperature-controlling of single-walled carbon nanotube non-covalent functionalization by biologically compatible peptide: insights from molecular dynamics simulations

N. Hadipour, Leila Tohidifar, 2019, Journal of Molecular Modeling.

Bare surface of gold nanoparticle induces inflammation through unfolding of plasma fibrinogen

Morteza Mahmoudi, Amir Ata Saei, Mohammad Reza Ejtehadi, 2018, Scientific Reports.

Density functional theory study of atomic oxygen , O 2 and O 3 adsorptions on the H-capped ( 5 , 0 ) single-walled carbon nanotube

N. Hadipour, M. Esrafili, Rabeeh Khorrampour, 2009 .

Computational studies on carbon nanotube–graphene nanoribbon hybrids by density functional theory calculations

N. Hadipour, A. Omidvar, Maryam Anafcheh, 2013 .

15N CHEMICAL SHIFT CALCULATIONS AND NATURAL BONDING ORBITAL ANALYSES OF (BENZAMIDE)n = 1 - 6 CLUSTERS

J. Beheshtian, N. Hadipour, M. Esrafili, 2009 .

A theoretical study of repeating sequence in HRP II: a combination of molecular dynamics simulations and (17)O quadrupole coupling tensors.

D. van der Spoel, N. Hadipour, M. Esrafili, 2008, Biophysical chemistry.

14N and 17O electric field gradient tensors in benzamide clusters: Theoretical evidence for cooperative and electronic delocalization effects in N–H⋯O hydrogen bonding

N. Hadipour, M. Esrafili, H. Behzadi, 2008 .

DNA Codon Recognition by a Cubane Wire: In Silico Approach

N. Hadipour, M. Mirzaei, O. Gulseren, 2020 .

A Computational Study of N–H…O Hydrogen Bonding to Investigate Cooperative Effects

Nasser L. Hadipour, Setareh Shekarsaraei, Marjan Moridi, 2015 .

The response of selected isomers of B80 buckyball toward NH3 adsorption: a density functional theory investigation

Sirous Yourdkhani, N. Hadipour, M. Esrafili, 2013, Structural Chemistry.

CNT-based nanocarrier loaded with pyrimethamine for adipose mesenchymal stem cells differentiation and cancer treatment: The computational and experimental methods.

N. Hadipour, N. Mollania, Fahimeh Mollania, 2019, Journal of biotechnology.