| YEAR |
TITLE |
| 2023 |
Folic acid functionalized carbon nanotubes as pH controlled carriers of fluorouracil: Molecular dynamics simulations
M Yahyavi, F Badalkhani-Khamseh, NL Hadipour
Journal of Molecular Liquids 377, 121393
|
| 2023 |
PEGylated PAMAM dendrimers as eptifibatide nanocarriers: An atomistic
view from molecular dynamics simulations
F Badalkhani-Khamseh, A Ebrahim-Habibi, NL Hadipour, M Behmanesh
Chemical Engineering Science 267, 118283
|
| 2022 |
Exploration of phosphorene as doxorubicin nanocarrier: An atomistic
view from DFT calculations and MD simulations
R Esfandiarpour, F Badalkhani-Khamseh, NL Hadipour
Colloids and Surfaces B: Biointerfaces 215, 112513
|
| 2021 |
PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative
study using DFT method
S Bazyari-Delavar, F Badalkhani-Khamseh, A Ebrahim-Habibi, ...
Journal of Nanoparticle Research 23 (10), 1-12
|
| 2021 |
DNA codon recognition by a cubane wire: in silico approach
M MIRZAEI, N HADİPOUR, O GULSEREN
Turkish Computational and Theoretical Chemistry 5 (1), 13-19
|
| 2020 |
Cubane cluster surface for pyrimidine nucleobases relaxation: DFT approach
M Mirzaei, N Hadipour, O Gülseren
International Journal of Nano Dimension 12 (2), 135-144
|
| 2020 |
A molecular dynamics study on the thermal properties of carbon-based
gold nanoparticles
E Gowdini, AA Ahmad, A Mabudi, NL Hadipour, B Kharazian
Journal of Molecular Modeling 26 (11), 1-9
|
| 2020 |
Investigation of host-guest interactions between polyester dendrimers
and ibuprofen using density functional theory (DFT)
S Bazyari-Delavar, F Badalkhani-Khamseh, A Ebrahim-Habibi, ...
Computational and Theoretical Chemistry 1189, 112983
|
| 2020 |
Adsorption behavior of pristine, Al-, and Si-doped carbon nanotubes
upon 5-fluorouracil
M Yahyavi, F Badalkhani-Khamseh, NL Hadipour
Chemical Physics Letters 750, 137492
|
| 2020 |
CNT-based nanocarrier loaded with pyrimethamine for adipose mesenchymal
stem cells differentiation and cancer treatment: The computational and
experimental methods
F Mollania, NL Hadipour, N Mollania
Journal of biotechnology 308, 40-55
|
| 2020 |
Investigation of structural, electronic and magnetic properties of breathing
metal–organic framework MIL-47 (Mn): a first principles approach
M Hosseini, DEP Vanpoucke, P Giannozzi, M Berahman, N Hadipour
RSC advances 10 (8), 4786-4794
|
| 2019 |
Tracing chirality, diameter dependence, and temperature-controlling
of single-walled carbon nanotube non-covalent functionalization by biologically
compatible peptide: insights …
L Tohidifar, NL Hadipour
Journal of Molecular Modeling 25 (9), 1-15
|
| 2019 |
In vitro study of folate-conjugated silver nanoparticles for enhanced
anticancer activity
F Mollania, NL Hadipour, N Mollania
Bioinspired, Biomimetic and Nanobiomaterials 8 (4), 263-270
|
| 2019 |
Density functional theory evaluation of pristine and BN-doped biphenylene
nanosheets to detect HCN
R Esfandiarpour, MR Hosseini, NL Hadipour, A Bahrami
Journal of molecular modeling 25 (6), 1-6
|
| 2019 |
Influence of dendrimer surface chemistry and pH on the binding and release
pattern of chalcone studied by molecular dynamics simulations
F Badalkhani‐Khamseh, A Ebrahim‐Habibi, NL Hadipour
Journal of Molecular Recognition 32 (1), e2757
|
| 2018 |
The influence of the structural variations of the fused electron rich-electron
deficient unit in the π-spacer of AD-π-DA organic dyes on the efficiency
of dye-sensitized solar …
E Hosseinzadeh, NL Hadipour
Organic Electronics 62, 43-55
|
| 2018 |
Bare surface of gold nanoparticle induces inflammation through unfolding
of plasma fibrinogen
B Kharazian, SE Lohse, F Ghasemi, M Raoufi, AA Saei, F Hashemi,
...
Scientific reports 8 (1), 1-9
|
| 2017 |
Atomistic computer simulations on multi-loaded PAMAM dendrimers: A comparison
of amine-and hydroxyl-terminated dendrimers
F Badalkhani-Khamseh, A Ebrahim-Habibi, NL Hadipour
Journal of Computer-Aided Molecular Design 31 (12), 1097-1111
|
| 2017 |
Molecular engineering of bithiazole-based organic dyes with different
electron-rich linkers toward highly efficient dye-sensitized solar cells
E Hosseinzadeh, NL Hadipour, G Parsafar
Journal of Photochemistry and Photobiology A: Chemistry 349, 171-182
|
| 2017 |
DFT, QTAIM, and NBO studies on the trimeric interactions in the protrusion
domain of a piscine betanodavirus
EK Astani, NC Chen, YC Huang, A Bahrami, LY Chen, PR Lin, HH Guan,
...
Journal of Molecular Graphics and Modelling 78, 61-73
|
| 2017 |
A theoretical study on quadrupole coupling parameters of HRPII Protein
modeled as 310-helix & α-helix structures
F Elmi, N Hadipour
Quarterly Journal of Iranian Chemical Communication 5 (4, pp. 364-493
…
|
| 2017 |
Complexation of nicotinic acid with first generation poly (amidoamine)
dendrimers: A microscopic view from density functional theory
F Badalkhani-Khamseh, A Bahrami, A Ebrahim-Habibi, NL Hadipour
Chemical Physics Letters 684, 103-112
|
| 2017 |
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
A Bahrami, MB Qarai, NL Hadipour
Computational and Theoretical Chemistry 1108, 63-69
|
| 2017 |
Molecular interactions investigated with DFT calculations of QTAIM and
NBO analyses: An application to dimeric structures of rice α-amylase/subtilisin
inhibitor
EK Astani, NL Hadipour, CJ Chen
Chemical Physics Letters 672, 80-88
|
| 2017 |
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 …
E Hosseinzadeh, NL Hadipour, G Parsafar
Journal of Photochemistry and Photobiology A: Chemistry 333, 70-78
|
| 2016 |
A DFT study on the functionalization of C60 fullerene with 1, 2-benzoquinone
MK Hazrati, NL Hadipour
Computational and Theoretical Chemistry 1098, 63-69
|
| 2016 |
DFT explorations of quadrupole coupling constants for planar 5-fluorouracil
pairs
M Mirzaei, O Gülseren, N Hadipour
Computational and Theoretical Chemistry 1090, 67-73
|
| 2016 |
A theoretical study on the characteristics of the intermolecular interactions
in the active site of human androsterone sulphotransferase: DFT calculations
of NQR and NMR …
EK Astani, E Heshmati, CJ Chen, NL Hadipour
Journal of Molecular Graphics and Modelling 68, 14-22
|
| 2016 |
Relaxations of fluorouracil tautomers by decorations of fullerene-like
SiCs: DFT studies
A Kouchaki, O Gülseren, N Hadipour, M Mirzaei
Physics Letters A 380 (25-26), 2160-2166
|
| 2016 |
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 …
E Astani, E Heshmati, CJ Chen, NL Hadipour, S Shekarsaraei
Chemical Physics Letters 653, 78-84
|
| 2016 |
Understanding the nanoparticle–protein corona complexes using computational
and experimental methods
B Kharazian, NL Hadipour, MR Ejtehadi
The international journal of biochemistry & cell biology 75, 162-174
|
| 2016 |
DFT studies of NH-Cl hydrogen bond of amino acid hydrochloride salts
in ion channels.
M Moridi, S Shekarsaraei, NL Hadipour
Acta Chimica Slovenica 63 (2), 241-250
|
| 2016 |
Noncovalent intermolecular interactions between dehydroepiandrosterone
and the active site of human dehydroepiandrosterone sulphotransferase:
A density functional theory based …
E Astani, E Heshmati, CJ Chen, NL Hadipour, S Shekarsaraei
Chemical Physics Letters 649, 123-129
|
| 2016 |
Adsorption behavior of 5-fluorouracil on pristine, B-, Si-, and Al-doped
C60 fullerenes: A first-principles study
MK Hazrati, NL Hadipour
Physics Letters A 380 (7-8), 937-941
|
| 2016 |
COMPLEXATION OF NIACIN WITH POLY (AMIDOAMINE)-G1 DENDRIMERS: A DFT STUDY
KF BADALKHANI, NL HADIPOUR, HA EBRAHIM
|
| 2015 |
Interplay between Tetrel and Triel Bonds in RC6H4CN center dot center
dot center dot MF3CN center dot center dot center dot BX3 Complexes:
A Combined Symmetry-Adapted …
S Yourdkhani, T Korona, NL Hadipour
JOURNAL OF COMPUTATIONAL CHEMISTRY 36 (32), 2412-2428
|
| 2015 |
Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3
complexes: A combined symmetry‐adapted perturbation theory, Møller‐Plesset,
and …
S Yourdkhani, T Korona, NL Hadipour
Journal of Computational Chemistry 36 (32), 2412-2428
|
| 2015 |
A Computational Study of N–H… O Hydrogen Bonding to Investigate Cooperative
Effects
S Shekarsaraei, M Moridi, NL Hadipour
International Journal of Chemical and Molecular Engineering 9 (3),
505-508
|
| 2015 |
Structure and Energetics of Complexes of B12N12
with Hydrogen HalidesSAPT(DFT) and MP2 Study
S Yourdkhani, T Korona, NL Hadipour
The Journal of Physical Chemistry A 119 (24), 6446-6467
|
| 2015 |
Theoretical study on the Al-doped ZnO nanoclusters for CO chemical sensors
NL Hadipour, A Ahmadi Peyghan, H Soleymanabadi
The Journal of Physical Chemistry C 119 (11), 6398-6404
|
| 2014 |
Theoretical investigation on the selective detection of SO2 molecule
by AlN nanosheets
S Rastegar, NL Hadipour, H Soleymanabadi
Journal of molecular modeling 20 (9), 1-6
|
| 2014 |
DFT study of NH3 adsorption on pristine, Ni-and Si-doped graphynes
AA Peyghan, SF Rastegar, NL Hadipour
Physics Letters A 378 (30-31), 2184-2190
|
| 2014 |
Theoretical investigation of azo dyes adsorbed on cellulose fibers:
2. Spectroscopic study
F Zanjanchi, NL Hadipour, H Sabzyan, J Beheshtian
Journal of the Iranian Chemical Society 11 (1), 111-121
|
| 2014 |
A DFT study on doping assisted changing of B80 electronic structure:
promising candidates for NH3 sensor
A Bahrami, S Yourdkhani, MD Esrafili, NL Hadipour
Sensors and Actuators B: Chemical 191, 457-463
|
| 2014 |
Interaction between Nanoparticles and Proteins
B Kharazian, MR Ejtehadi, M Mahmoudi, N Hadipour
|
| 2014 |
CALCULATIONS OF NON-COVALENT INTERACTIONS IN THE ACTIVE SITE OF HYDROXYSTEROID
SULFOTRANSFERASE ENZYME USING DFT METHOD
E ASTANI, E HESHMATI, NL HADIPOUR
MOLECULAR BIOLOGY RESEARCH COMMUNICATIONS 3 (1), 98-98
|
| 2013 |
Density functional theory studies of carbon nanotube—graphene nanoribbon
hybrids
A Omidvar, NL Hadipour
Journal of the Iranian Chemical Society 10 (6), 1239-1246
|
| 2013 |
Theoretical investigation of azo dyes adsorbed on cellulose fibers:
1. Electronic and bonding structures
F Zanjanchi, NL Hadipour, H Sabzyan, J Beheshtian
Journal of the Iranian Chemical Society 10 (5), 985-999
|
| 2013 |
DFT studies of acrolein molecule adsorption on pristine and Al-doped
graphenes
SF Rastegar, NL Hadipour, MB Tabar, H Soleymanabadi
Journal of molecular modeling 19 (9), 3733-3740
|
| 2013 |
The response of selected isomers of B80 buckyball toward NH3 adsorption:
a density functional theory investigation
A Bahrami, S Yourdkhani, MD Esrafili, M Bahrami, NL Hadipour
Structural Chemistry 24 (4), 1273-1279
|
| 2013 |
Computational studies on carbon nanotube–graphene nanoribbon hybrids
by density functional theory calculations
A Omidvar, M Anafcheh, NL Hadipour
Scientia Iranica 20 (3), 1014-1017
|
| 2013 |
NO2 detection by nanosized AlN sheet in the presence of NH3: DFT studies
SF Rastegar, AA Peyghan, HR Ghenaatian, NL Hadipour
Applied surface science 274, 217-220
|
| 2013 |
A computational investigation of the electronic properties of Octahedral
Al n N n and Al n P n cages (n= 12, 16, 28, 36, and 48)
M Saeedi, M Anafcheh, R Ghafouri, NL Hadipour
Structural Chemistry 24 (2), 681-689
|
| 2013 |
Effects of Al Doping and Double-Antisite Defect on the Adsorption of
HCN on a BC2N Nanotube: Density Functional Theory Studies
A Ahmadi Peyghan, NL Hadipour, Z Bagheri
The Journal of Physical Chemistry C 117 (5), 2427-2432
|
| 2013 |
Response of Si-and Al-doped graphenes toward HCN: a computational study
SF Rastegar, AA Peyghan, NL Hadipour
Applied surface science 265, 412-417
|
| 2012 |
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 …
M Anafcheh, R Ghafouri, NL Hadipour
Solar energy materials and solar cells 105, 125-131
|
| 2012 |
1H and 29Si NMR investigation of SinHn polysilanes with n≤ 60: A DFT
study
M Anafcheh, R Ghafouri, NL Hadipour
Physica E: Low-dimensional Systems and Nanostructures 44 (10), 2099-2104
|
| 2012 |
Can aluminum nitride nanotubes detect the toxic NH3 molecules?
AA Peyghan, A Omidvar, NL Hadipour, Z Bagheri, M Kamfiroozi
Physica E: Low-dimensional Systems and Nanostructures 44 (7-8),
1357-1360
|
| 2012 |
Theoretical study of aluminum nitride nanotubes for chemical sensing
of formaldehyde
A Ahmadi, NL Hadipour, M Kamfiroozi, Z Bagheri
Sensors and Actuators B: Chemical 161 (1), 1025-1029
|
| 2011 |
A DFT exploration of structural and electronic properties of a photoswitchable
octapeptide cyclized with (4-aminomethyl) phenylazobenzoic acid
F Ektefa, M Anafche, NL Hadipour
Computational and Theoretical Chemistry 977 (1-3), 1-8
|
| 2011 |
The effect of surface curvature of aluminum nitride nanotubes on the
adsorption of NH3
A Ahmadi, M Kamfiroozi, J Beheshtian, NL Hadipour
Structural Chemistry 22 (6), 1261-1265
|
| 2011 |
A computational NICS and 13C NMR characterization of BN-substituted
60C fullerenes
M Anafcheh, NL Hadipour
Physica E: Low-dimensional Systems and Nanostructures 44 (2), 400-404
|
| 2011 |
Characteristics and nature of halogen bonds in linear clusters of NCX
(X= Cl, and Br): an ab initio, NBO and QTAIM study
MD Esrafili, NL Hadipour
Molecular Physics 109 (20), 2451-2460
|
| 2011 |
Computational study on the characteristics of the interaction in linear
urea clusters
MD Esrafili, J Beheshtian, NL Hadipour
International Journal of Quantum Chemistry 111 (12), 3184-3195
|
| 2011 |
Interaction of NH3 with aluminum nitride nanotube: electrostatic vs.
covalent
A Ahmadi, J Beheshtian, NL Hadipour
Physica E: Low-dimensional Systems and Nanostructures 43 (9), 1717-1719
|
| 2011 |
Investigating purine-functionalised carbon nanotubes and their properties:
a computational approach
M Mirzaei, HR Kalhor, NL Hadipour
IET nanobiotechnology 5 (2), 32-35
|
| 2011 |
Study of C= O center dot center dot center dot HN Hydrogen bond interactions
in amyloid beta (A beta): A DFT study of the electric field gradient
and CS tensors and NBO analysis
L Karami, H Behzadi, NL Hadipour, M Mousavi-Khoshdel
COMPUTATIONAL AND THEORETICAL CHEMISTRY 965 (1), 137-145
|
| 2011 |
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
H Behzadi, NL Hadipour, M Mousavi-khoshdel
Computational and Theoretical Chemistry 965 (1), 137-145
|
| 2011 |
Photo-oxidation of phenylazonaphthol dyes and their reactivity analysis
in the gas phase and adsorbed on cellulose fibers states using DFT and
TD-DFT
F Zanjanchi, NL Hadipour, H Sabzyan, J Beheshtian
Dyes and Pigments 89 (1), 16-22
|
| 2011 |
Covalent hybridization of CNT by thymine and uracil: A computational
study
M Mirzaei, HR Kalhor, NL Hadipour
Journal of Molecular Modeling 17 (4), 695-699
|
| 2011 |
DFT study of CH4 adsorption on the (5, 0),(4, 4),(5, 5) and (6, 6) single-walled
carbon nanotubes. Calculated binding energies, NMR and NQR parameters
BB Shirvani, MB Shirvani, J Beheshtian, NL Hadipour
Journal of the Iranian Chemical Society 8 (1), S110-S118
|
| 2011 |
Chemisorption of NH3 at the open ends of boron nitride nanotubes: a
DFT study
A Ahmadi, J Beheshtian, NL Hadipour
Structural Chemistry 22 (1), 183-188
|
| 2011 |
Synthesis and structural characterization of triorganotin (IV) methoxyacetates:
Correlation of^{13} C CPMAS NMR spectroscopy with single crystal structure
MM Amini, A Azadmehr, E Najafi, N Hadipour, CD Chen, CJ Chen
Main Group Chemistry 10 (1), 73-87
|
| 2010 |
A computational study of water adsorption on boron nitride nanotube
J Beheshtian, H Behzadi, MD Esrafili, BB Shirvani, NL Hadipour
Structural Chemistry 21 (5), 903-908
|
| 2010 |
DFT study of NH3 (H2O) n= 0, 1, 2, 3 complex adsorption on the (8, 0)
single-walled carbon nanotube
BB Shirvani, J Beheshtian, G Parsafar, NL Hadipour
Computational materials science 48 (3), 655-657
|
| 2010 |
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
BB Shirvani, J Beheshtian, MD Esrafili, NL Hadipour
Physica B: Condensed Matter 405 (6), 1455-1460
|
| 2010 |
Hydrogen bonds of peptide group in four acetamide derivatives: DFT study
of oxygen and nitrogen NQR and NMR parameters
M Mirzaei, Z Samadi, NL Hadipour
Journal of the Iranian Chemical Society 7 (1), 164-170
|
| 2010 |
WITHDRAWN: Density Functional Calculations on Magnetic Shielding Tensors
and chemical shifts of Small Boron Nitride Nanotubes and graphitic sheet
Z Bagheri, MR Abolhassani, NL Hadipour
Physica E: Low-dimensional Systems and Nanostructures
|
| 2009 |
AB INITIO CALCULATIONS OF 14N NQR PARAMETERS AND 13 C, 1 H, AND 15 N
CHEMICAL SHIFTS INCLUDING A COMPARISON WITH EXPERIMENTAL NMR DATA FOR
CYCLOTRISAZOBENZENE
N Zamand, AR Aliakbar, NL Hadipour
Journal of Theoretical and Computational Chemistry 8 (04), 647-656
|
| 2009 |
Density functional theory study of atomic oxygen, O2 and O3 adsorptions
on the H-capped (5, 0) single-walled carbon nanotube
R Khorrampour, MD Esrafili, NL Hadipour
Physica E: Low-dimensional Systems and Nanostructures 41 (8), 1373-1378
|
| 2009 |
A density functional study of 15N chemical shielding tensors in quinolines
H Behzadi, MD Esrafili, J Beheshtian, NL Hadipour, D van der Spoel
Chemical Physics Letters 476 (4-6), 196-200
|
| 2009 |
Characterization of cooperative effects in linear α-glycylglycine clusters
A Bahrami, MD Esrafili, NL Hadipour
Biophysical chemistry 143 (1-2), 26-33
|
| 2009 |
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
M Mirzaei, NL Hadipour
Journal of the Iranian Chemical Society 6 (1), 195-199
|
| 2009 |
Density functional theory study of atomic oxygen, O" 2 and O" 3 adsorptions
on the H-capped (5, 0) single-walled carbon
R Khorrampour, MD Esrafili, NL Hadipour
|
| 2009 |
Structure and electronic properties of hydrogen chemisorption on boron
nitride nanotubes
J Beheshtian, H Behzadi, Z Bagheri, NL Hadipour
|
| 2009 |
15 N CHEMICAL SHIFT CALCULATIONS AND NATURAL BONDING ORBITAL ANALYSES
OF (BENZAMIDE) n= 1-6 CLUSTERS
MD Esrafili, J Beheshtian, NL Hadipour
Journal of Theoretical and Computational Chemistry 8 (supp01), 973-982
|
| 2008 |
Electronic structure characterization of FeIII-protoporphyrin IX (FeIII-PPIX)
and β-hematin using calculated nuclear quadrupole resonance (NQR) and
Mössbauer parameters
MA Rafiee, NL Hadipour
Canadian Journal of Chemistry 86 (12), 1095-1098
|
| 2008 |
A theoretical study of repeating sequence in HRP II: A combination of
molecular dynamics simulations and 17O quadrupole coupling tensors
H Behzadi, MD Esrafili, NL Hadipour, G Parsafar
Biophysical chemistry 137 (2-3), 76-80
|
| 2008 |
Density functional calculations on 11B and 15N chemical shielding tensors
of small boron nitride nanotubes and graphitic sheet
Z Bagheri, MR Abolhassani, NL Hadipour
Physica E: Low-dimensional Systems and Nanostructures 41 (1), 124-129
|
| 2008 |
Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs:
Sulfamerazine and sulfathiazole
MD Esrafili, H Behzadi, J Beheshtian, NL Hadipour
Journal of Molecular Graphics and Modelling 27 (3), 326-331
|
| 2008 |
Theoretical study of N–H··· O hydrogen bonding properties and cooperativity
effects in linear acetamide clusters
MD Esrafili, H Behzadi, NL Hadipour
Theoretical Chemistry Accounts 121 (3), 135-146
|
| 2008 |
Density functional study of zigzag BN nanotubes with equivalent ends
M Mirzaei, NL Hadipour, A Seif, M Giahi
Physica E: Low-dimensional Systems and Nanostructures 40 (10), 3060-3063
|
| 2008 |
The C-doped zigzag AlN nanotube: A computational NMR study
M Mirzaei, A Seif, NL Hadipour
Chemical Physics Letters 461 (4-6), 246-248
|
| 2008 |
14N and 17O electric field gradient tensors in benzamide clusters: theoretical
evidence for cooperative and electronic delocalization effects in N–H⋯
O hydrogen bonding
MD Esrafili, H Behzadi, NL Hadipour
Chemical Physics 348 (1-3), 175-180
|
| 2008 |
DFT calculations of oxygen, nitrogen and hydrogen NMR parameters to
study the CH center dot center dot center dot O hydrogen bond in crystalline
structure of 4-methylpyridine-N …
M Mirzaei, NL Hadipour
POLISH JOURNAL OF CHEMISTRY 82 (5), 1091-1096
|
| 2008 |
Role of spin state on the geometry and nuclear quadrupole resonance
parameters in hemin complex
H Behzadi, D van der Spoel, MD Esrafili, GA Parsafar, NL Hadipour
Biophysical chemistry 134 (3), 200-206
|
| 2008 |
A computational NQR study on the hydrogen‐bonded lattice of cytosine‐5‐acetic
acid
M Mirzaei, NL Hadipour
Journal of computational chemistry 29 (5), 832-838
|
| 2008 |
Study of hydrogen bonds in N-methylacetamide by DFT calculations of
oxygen, nitrogen, and hydrogen solid-state NMR parameters
M Mirzaei, NL Hadipour
Structural Chemistry 19 (2), 225-232
|
| 2008 |
Density functional theory study of boron nitride nanotubes: calculations
of the N-14 and B-11 nuclear quadrupole resonance parameters
Z Bagheri, M Mirzaei, NL Hadipour, MR Abolhassani
Journal of Computational and Theoretical Nanoscience 5 (4), 614-618
|
| 2008 |
Density functional theory study of NH center dot center dot center dot
O, OH center dot center dot center dot O and CH center dot center dot
center dot O hydrogen-bonding …
MD Esrafili, H Behzadi, NL Hadipour
BIOPHYSICAL CHEMISTRY 133 (1-3), 11-18
|
| 2008 |
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
MD Esrafili, H Behzadi, NL Hadipour
Biophysical chemistry 133 (1-3), 11-18
|
| 2008 |
Density functional calculations of oxygen, nitrogen and hydrogen electric
field gradient and chemical shielding tensors to study hydrogen bonding
properties of peptide group …
Z Samadi, M Mirzaei, NL Hadipour, SA Khorami
Journal of Molecular Graphics and Modelling 26 (6), 977-981
|
| 2008 |
Density functional calculations of 14N and 11B NQR parameters in the
H-capped (6, 0) and (4, 4) single-walled BN nanotubes
M Mirzaei, NL Hadipour
Physica E: Low-dimensional Systems and Nanostructures 40 (4), 800-804
|
| 2008 |
DFT Calculations of Oxygen, Nitrogen and Hydrogen NMR Parameters to
Study the CH... Surface Structure and Catalytic Properties of Cu/SiO2
Catalysts Prepared by Different …
M Mirzaei, NL Hadipour
Polish Journal of Chemistry 82 (5), 1091-1096
|
| 2008 |
DFT Calculations of Oxygen, Nitrogen and Hydrogen NMR Parameters to
Study the CH··· O Hydrogen Bond in Crystalline Structure of 4-Methylpyridine-N-oxide
M Mirzaei, NL Hadipour
Polish Journal of Chemistry 82 (5), 1091-1096
|
| 2008 |
Synthesis and structural characterization of diorganotin (IV) complexes
with 2, 6‐pyridinedicarboxylic acid
A Azadmeher, MM Amini, N Hadipour, HR Khavasi, HK Fun, CJ Chen
Applied Organometallic Chemistry 22 (1), 19-24
|
| 2007 |
DENSITY FUNCTIONAL THEORY STUDY OF BINDING ENERGIES, 7 Li NUCLEAR MAGNETIC
SHIELDING, AND ELECTRIC FIELD GRADIENT TENSORS ON THE SMALL CLUSTERS
OF Li n H m (m≤ n≤ 4)
MD Esrafili, F Elmi, NL Hadipour
Journal of Theoretical and Computational Chemistry 6 (04), 959-973
|
| 2007 |
Investigation of the effects of ionic hydrogen bonds (C= O-center dot
center dot center dot HC and N+-H center dot center dot center dot O-=
C) in crystalline DL-proline by ab …
SM Nasseri, NL Hadipour, AR Mohebbi
JOURNAL OF MOLECULAR STRUCTURE 846 (1-3), 119-122
|
| 2007 |
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
SM Nasseri, NL Hadipour, AR Mohebbi
Journal of Molecular Structure 846 (1-3), 119-122
|
| 2007 |
Theoretical investigation of hydrogen bonding effects on oxygen, nitrogen,
and hydrogen chemical shielding and electric field gradient tensors
of chitosan/HI salt
S Khodaei, NL Hadipour, MR Kasaai
Carbohydrate research 342 (16), 2396-2403
|
| 2007 |
A density functional study of 14N NQR parameters of imidazole derivatives
and extrapolation to PfHRP2–Fe3+-PPIX complex
SM Nasseri, NL Hadipour, AR Mohebbi
Journal of Molecular Structure: THEOCHEM 820 (1-3), 48-52
|
| 2007 |
Influence of N–H… O and O–H… O hydrogen bonds on the 17O, 15N and 13C
chemical shielding tensors in crystalline acetaminophen: a density functional
theory study
MD Esrafili, H Behzadi, NL Hadipour
Biophysical chemistry 128 (1), 38-45
|
| 2007 |
Study of hydrogen bonds in 1-methyluracil by DFT calculations of oxygen,
nitrogen, and hydrogen quadrupole coupling constants and isotropic chemical
shifts
M Mirzaei, NL Hadipour
Chemical physics letters 438 (4-6), 304-307
|
| 2007 |
A theoretical study of 17O, 14N and 2H nuclear quadrupole coupling tensors
in the real crystalline structure of acetaminophen
H Behzadi, MD Esrafili, NL Hadipour
Chemical physics 333 (2-3), 97-104
|
| 2007 |
Density functional theory investigation of hydrogen bonding effects
on the oxygen, nitrogen and hydrogen electric field gradient and chemical
shielding tensors of anhydrous …
MD Esrafili, F Elmi, NL Hadipour
The Journal of Physical Chemistry A 111 (5), 963-970
|
| 2007 |
Influence of C-doping on the B-11 and N-14 quadrupole coupling constants
in boron-nitride nanotubes: A DFT study
M Mirzaei, NL Hadipour, MR Abolhassani
Zeitschrift für Naturforschung A 62 (1-2), 56-60
|
| 2007 |
Investigation of C–H… OC and N–H… OC hydrogen-bonding interactions in
crystalline thymine by DFT calculations of O-17, N-14 and H-2 NQR parameters
M Mirzaei, NL Hadipour, K Ahmadi
Biophysical chemistry 125 (2-3), 411-415
|
| 2007 |
INVESTIGATION OF THE EFFECTS OF IONIC HYDROGEN BONDS (C {DOUBLE BOND,
LONG} O-? HC AND+ NH?-O {DOUBLE BOND, LONG} C) IN CRYSTALLINE DL-PROLINE
BY AB INITIO AND DFT CALCULATED …
SM NASSERI, NL HADIPOUR, AR MOHEBBI
JOURNAL OF MOLECULAR STRUCTURE 846 (1-3), 119-122
|
| 2007 |
A density functional study of 17O, 14N and 2H electric field gradient
tensors in the real crystalline structure of α-glycine
H Behzadi, NL Hadipour, M Mirzaei
Biophysical chemistry 125 (1), 179-183
|
| 2006 |
The C–H··· O Hydrogen bonding effects on the 17o electric field gradient
and chemical shielding tensors in crystalline 1-methyluracil: A DFT
study
T Partovi, M Mirzaei, NL Hadipour
Zeitschrift für Naturforschung A 61 (7-8), 383-388
|
| 2006 |
A density functional theory study of hydrogen-bonding interactions effects
on the {sup 17} O and {sup 14} N electric field gradient tensors in
the crystalline structure of …
M Mirzaei, N Hadipour, MR Abolhasani
|
| 2006 |
A systematic investigation of hydrogen-bonding effects on the 17O, 14N,
and 2H nuclear quadrupole resonance parameters of anhydrous and monohydrated
cytosine crystalline …
M Mirzaei, F Elmi, NL Hadipour
The Journal of Physical Chemistry B 110 (22), 10991-10996
|
| 2006 |
An investigation of hydrogen-bonding effects on the nitrogen and hydrogen
electric field gradient and chemical shielding tensors in the 9-methyladenine
real crystalline …
M Mirzaei, NL Hadipour
The Journal of Physical Chemistry A 110 (14), 4833-4838
|
| 2006 |
Correlation between NQR parameters and residue size of aliphatic amino
acids and their dimers
AR Ghaderi, H Sabzyan, NL Hadipour
Biophysical chemistry 120 (1), 62-70
|
| 2006 |
Structural Elucidation of {[(CH3) 2SnCl2· H2O] 2· 18-crown-6} n and
its Hydrogen Bonding in Solution by HMBC Spectroscopy
MM Amini, A Azadmher, HR Bijanzadeh, N Hadipour
Journal of inclusion phenomena and macrocyclic chemistry 54 (1),
77-80
|
| 2006 |
Original Communications-The CH... O Hydrogen Bonding Effects on the
17O Electric Field Gradient and Chemical Shielding Tensors in Crystalline
1-Methyluracil: A DFT Study
T Partovi, M Mirzaei, NL Hadipour
Zeitschrift fur Naturforschung A-Journal of Physical Sciences 61
(7-8), 383-388
|
| 2005 |
The role of charge distribution on the antimalarial activity of artemisinin
analogues
MA Rafiee, NL Hadipour, H Naderi-Manesh
Journal of chemical information and modeling 45 (2), 366-370
|
| 2005 |
A study on the intermolecular hydrogen bonds of α-glycylglycine in its
actual crystalline phase using ab initio calculated 14N and 2H nuclear
quadrupole coupling constants
F Elmi, NL Hadipour
The Journal of Physical Chemistry A 109 (8), 1729-1733
|
| 2005 |
Ab initio calculations of the nuclear quadrupole coupling constants
of BH {sub n= 2, 4} X {sup+}(X= NH {sub 3}, PH {sub 3}, H {sub 2} O,
H {sub 2} S)
T Partovi, MA Rafiee, NL Hadipour
Zeitschrift fuer Naturforschung, A: Physical Sciences 60
|
| 2004 |
A study of hydrogen bond of imidazole and its 4-nitro derivative by
ab initio and DFT calculated NQR parameters
SK Amini, NL Hadipour, F Elmi
Chemical physics letters 391 (1-3), 95-100
|
| 2004 |
A correlation study of quinoline derivatives and their pharmaceutical
behavior by ab initio calculated NQR parameters
MA Rafiee, NL Hadipour, H Naderi-Manesh
Journal of computer-aided molecular design 18 (3), 215-220
|
| 2003 |
Investigation hydrogen-bonding capabilities of modified amide groups
using calculated nuclear quadruple coupling constants
F Elmi, NL Hadipour, F Safinezhad
Chemical physics letters 375 (3-4), 273-278
|
| 2003 |
A new method for distinguishing between Al2X6 (X= Cl, Br) conformers
based on ab initio calculated nuclear quadrupole coupling constants
NL Hadipour, F Elmi
Chemical physics letters 371 (1-2), 56-61
|
| 2002 |
A theoretical study (ab-initio) on various structures of {CH3N2+ (H2)
n= 1–9} by calculating NQR parameters
NL Hadipour, MA Rafiee, M Javaheri
Chemical physics letters 366 (5-6), 578-582
|
| 2002 |
Investigation of hydrogen bonding in {[(CH3) 2SnCl2. H2O] 2.18-crown-6}
n by 1H, 119Sn, 2D 1H-119Sn HMBC NMR.
MM Amini, A Azadmehr, JR Bijanzadeh, N Hadipour
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 224, U718-U718
|
| 2002 |
Ab initio calculations of NQR 35Cl frequency in organo-germanium chlorides
and its dependency on Ge–O distance
NL Hadipour, MA Rafiee, M Javaheri, MK Mousavie
Chemical physics letters 356 (5-6), 445-450
|
| 2000 |
Semi-empirical quantum mechanical calculations of electronic distribution
and NQR parameters of bromine atoms in some organic and inorganic compounds
NL Hadipour, S Javadian
Journal of Molecular Structure 525 (1-3), 129-134
|
| 2000 |
Bartoszak-Adamska, E. 253 Bas, M. 87 Bassyouni, HAR 141 Bi, L. 71
B Brzezinski, W Bu, CC Carter, D Christen, PW Codding, HO Desseyn,
...
Journal of Molecular Structure 525, 287
|
| 1992 |
Quantitation of model digestive mixtures by 13C NMR.
D Wang, NL Hadipour, EA Jerlin, RE Stark
Journal of lipid research 33 (3), 431-439
|
| 1986 |
A deuterium NQR study of imidazolidone, imidazolidone hemihydrate, phthalimide,
and benzamide
RO Day, NL Hadipour, JL Ragle
Journal of Magnetic Resonance (1969) 67 (3), 466-475
|
| 1986 |
APPLICATIONS OF DOUBLE TRANSITION QUADRUPOLE RESONANCE SPECTROSCOPY
TO STRUCTURAL PROBLEMS IN THE SOLID STATE (MAGNETIC, DIPOLAR, INTERACTION)
NL Hadipour
|
| 1985 |
Deuterium NQR spectra: dipolar interaction between two quadrupolar nuclei
N Hadipour, JL Ragle
Zeitschrift für Naturforschung A 40 (4), 355-360
|
| 1985 |
Applications of double transition quadrupole resonance spectroscopy
to structural problems in the solid state
NL Hadipour
University of Massachusetts at Amherst
|
| 1984 |
Deuterium NQR study of phenylphosphonic acid and two ternary cocrystals
of pyridine, catechol, and phenylphosphonic acid
RO Day, N Hadipour, JL Ragle
Journal of Magnetic Resonance (1969) 59 (3), 373-383
|
| 1984 |
Deuterium double-transition quadrupole-resoname spectra and the structures
of catechol, resorcinol, and hydroquinone
RO Day, N Hadipour, JL Ragle
Journal of Magnetic Resonance (1969) 57 (3), 369-384
|
| 1983 |
Assignment of the Deuteron NQR Spectrum of Hydroquinone-(O)-d2
N Hadipour, JL Ragle
Journal of Molecular Structure 111, 17-20
|
| |
SYNTHESIS OF A NOVEL FUSED TRICYCLIC HETEROCYCLE, BENZO [B] PYRIDAZINO
[4, 3-F][1, 4] THIAZEPIN
MA RAFIEE, NL HADIPOUR, H NADERIMANESH
|
| |
Calculation of the Ground-State Energy of the Hydrogen Molecule by Coupled
Coherent State
M Rooein, M reza Eidi, NL Hadipour, M Vafaee
|
| |
Preparation of Water Soluble Single Walled Carbon Nanotubes: Study of
the Chirality Effect Insights from Molecular Dynamics Simulations
L Tohidifar, NL Hadipour
|
| |
19th Iranian Physical Chemistry Conference
F Badalkhani-Khamseh, NL Hadipour, A Ebrahim-Habibi
|
| |
Computational Studies of Hydrogen–Bonds in Nucleobases
M Mirzaei, O Gülseren, N Hadipour
|
| |
A density functional theory study of hydrogen-bonding interactions effects
on the 17 O and 14 N electric field gradient tensors in the crystalline
structure of thymine
M Mirzaei, N Hadipour, MR Abolhasani
|
| |
A Computational NMR-NQR Investigation of Hydrogen-Bonding Effects On
the Structural Properties of Crystalline 1-Methyluracil
M Mirzaei, NL Hadipour, AG Gilani, K Ahmadi
|
