- Author Index

A

A, A Review of the Mechanism of Acetyll amine N-Oxide Catalyzed by Carbon Gold (I) from a DFT Perspective [Volume 10, Issue 33, 2021, Pages 41-30]
Abdoullahi, Emel Calculation of optical properties of Na2S in different phases [Volume 13, Issue 41, 2023, Pages 39-28]
Abniki, Milad Dispersive solid-phase extraction for preconcentration of colored effluent in aqueous samples using magnetic carbon nanotubes modified with chitosan [Volume 9, Issue 32, 2020, Pages 68-60]
Abniki, Milad Removal of lead (II) using modified octadecyl silica nanomagnetic disks with dioctyl phthalate by atomic absorption spectroscopy [Volume 10, Issue 33, 2021, Pages 48-42]
Abniki, Milad Dispersive solid-phase extraction for preconcentration of Amlodipine in aqueous samples using Fe3O4@MWCNT- β cyclodextrin composite [Volume 11, Issue 35, 2021, Pages 55-43]
Abniki, Milad Preconcentration of trace Co (II) in water samples using modified Multiwall nano tube carbon [Volume 11, Issue 36, 2022, Pages 28-15]
Abniki, Milad Dispersive Solid phase exteraction of trace Cu (II) in water samples using modified Nano Geraphene Oxide and determination by FAAS [Volume 12, Issue 39, 2023, Pages 15-1]
Abniki, Milad Study of exteraction of trace diazepam in water samples using Modified NanoTube carboxyl as sorbent [Volume 12, Issue 40, 2023, Pages 59-46]
Abniki, Milad Preconcentration of trace amounts of lorazepam in aqueous samples by functionalizing graphene oxide with 2-aminopyridine [Volume 13, Issue 42, 2023, Pages 27-14]
Ahmadi, Roya Investigating Levodopa Adsorption on the Surface of Graphene and Carbon Nanocone by Density Functional Theory [Volume 9, Issue 30, 2019, Pages 1-20]
Ahmadi, Roya Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]
Ahmadi, Sara Theoretical study of the doping effects of iron and titanium atoms on the adsorption behavior of carbon nanosheet [Volume 11, Issue 37, 2022, Pages 10-1]
Akhlaghi, Seyed Hashem Evaluation of antioxidant activity of water and ethanol extract of asgari grape residue [Volume 8, Issue 25, 2018, Pages 57-72]
Akhlaghi, Seyed Hashem Green Synthesis of iron nanoparticles using peppermint extract and spectroscopic application in characterization and evaluation of its antioxidant properties [Volume 11, Issue 37, 2022, Pages 45-37]
Akhlaghi, Seyed Hashem Characterization of bio-hydrogels synthesized based on wild sage seed's gum by spectroscopic methods and evaluation of swelling and drug delivery with changes in temperature and pH [Volume 11, Issue 36, 2022, Pages 14-1]
Akhlaghi, Seyed Hashem One-Pot Synthesis of Some Heterocyclic Organic Compounds by Magnetic Nanoparticles and its Application in Electrosynthesis of Silver Nanoparticles [Volume 12, Issue 38, 2022, Pages 26-15]
Alaei, Hamidreza Si Adsorption on the borne phosphide honey-combe structure [Volume 13, Issue 41, 2023, Pages 14-1]
Alipour, Mojtaba On the F2@C60 complex from the perspective of DFT Energy Partitioning Schemes [Volume 12, Issue 38, 2022, Pages 14-1]
Amarloo, Fatemeh Synthesis of new magnetic FeNi3 / SiO2 / PPA magnetic nanocatalysts in tetrahydrobenzo [a] xanthene-11-ones reaction under solvent-free conditions [Volume 9, Issue 30, 2019, Pages 59-47]
Amarloo, Fatemeh Synthesis of a new and recyclable Ce2Sn2O7 metal nanocatalyst for the three-component and efficient reaction (biginlli) of the 3,4-dihydropyrimidine (2H)one model [Volume 12, Issue 40, 2023, Pages 73-60]
Amiri, Peiman Investigation of Phononic and thermal properties of Gallium Phosphide in two Zincblend and hexagonal phases [Volume 12, Issue 38, 2022, Pages 45-38]
Arab, Malihe A theoretical study on the nature of formaldehyde adsroption on the C58BN heterofullerene using DFT [Volume 9, Issue 32, 2020, Pages 23-12]
Ariafard, Alireza Cu (I)-Catalyzed C-C and C-N Coupling Reactions from a Theoretical Point of View [Volume 9, Issue 32, 2020, Pages 59-43]
Azizi Toupkanloo, Hossein Study of hydrogen bond between the anion and cation in the methyl ethyl imidazolium bis (tri fluoro methylsulfonylmethane) amide ionic liquid using density functional theory (DFT) [Volume 7, Issue 22, 2017, Pages 1-18]
Azizi Toupkanloo, Hossein Theoretical investigations on the interactions of some drug fragments with guanine and adenine nucleic acid: DFT method, AIM analysis and NBO calculations [Volume 7, Issue 23, 2018, Pages 33-51]
Aziznejad, Fariborz Extraction of drugs in water Samples by Carbon Nanotubes modified and Measurement with Ultraviolet-Visible Spectrometry [Volume 8, Issue 26, 2018, Pages 39-48]

B

B, S Modeling and quantitative structure-property relationship studying to predict the half-life of polychlorinated biphenyls using multivariate linear regression and artificial neural networks [Volume 10, Issue 33, 2021, Pages 63-49]
B, T The application of multiple linear regression and artificial neural networks to study the quantitative structure-activity relationship of a group of chemokine derivatives [Volume 12, Issue 40, 2023, Pages 91-74]
Baei, Mohammad Taghi Energetic and electronic properties of bilirubin photoisomerization products using density functional theory [Volume 12, Issue 39, 2023, Pages 50-39]
Baei, Mohammad Taghi Investigating the adsorption and antioxidant properties of Gallic acid on surface the B12N12 fullerene using quantum mechanical DFT and Molecular Docking [Volume 12, Issue 39, 2023, Pages 66-51]
Baei, Mohammad Taghi Molecular Docking and DFT Study On the Interaction Between Quercetin on surface B12N12 Fullerene [Volume 12, Issue 40, 2023, Pages 45-31]
BakhBakhshian, Hossin Use of spectroscopic manner GC and GC/MS for chemical composition of the essential oil pulicaria gnaphalodes (Vent) BOISS. From Iran [Volume 8, Issue 28, 2018, Pages 33-43]
Bargi, Maryam Investigation of intramolecular hydrogen bond in Anthranilic acid derivatives [Volume 7, Issue 23, 2018, Pages 53-66]
Bavafa, Sadeghali Quantum chemical study of hydrogen bonded homodimers of NH2NW (W=O, S, Se) [Volume 9, Issue 31, 2019, Pages 69-85]
Bazobandi, Mohadese effect of G-quadruplex on aromaticity of phenanthroline based ligands: mlecular dynamics simulation and density functional theory methods [Volume 12, Issue 39, 2023, Pages 38-29]
Beyramabadi, Safar Ali DFT investigation of chitosan nanoparticle as hydroxyurea nanocarrier [Volume 11, Issue 37, 2022, Pages 57-46]
Beyramabadi, Safar Ali Investigating the effect of external electric field on the neurotransmitters acetylcholine, dopamine, GABA, glutamate and serotonin using density functional theory method [Volume 13, Issue 41, 2023, Pages 72-57]
Beyramabadi, S. Ali Structural study of a new copper complex using experimental method and quantum calculations and its application in the synthesis of pyranopyrimidines as catalyst [Volume 11, Issue 37, 2022, Pages 36-24]
Bozorgmehr, Mohammad Reza DFT investigation of chitosan nanoparticle as hydroxyurea nanocarrier [Volume 11, Issue 37, 2022, Pages 57-46]
Bozorgmehr, Mohammad Reza effect of G-quadruplex on aromaticity of phenanthroline based ligands: mlecular dynamics simulation and density functional theory methods [Volume 12, Issue 39, 2023, Pages 38-29]
Bozorgmehr, Mohammad Reza Investigating the effect of external electric field on the neurotransmitters acetylcholine, dopamine, GABA, glutamate and serotonin using density functional theory method [Volume 13, Issue 41, 2023, Pages 72-57]

C

Chahkandi, Behzad Conformational analysis of For-L-Ser-L-Ala-NH2 protected dipeptide using quantum calculations: A DFT study [Volume 9, Issue 31, 2019, Pages 17-29]
Chahkandi, Behzad Theoretical study on the kinetics and mechanism of the atmospheric oxidation of acenaphthylene initiated by hydroxyl radical. Hydrogen Abstraction pathway [Volume 10, Issue 33, 2021, Pages 11-1]
Chahkandi, Behzad Theoretical investigation of β-turn structures of serine-alanine protected dipeptide using quantum calculations [Volume 11, Issue 36, 2022, Pages 77-63]
Chahkandi, Behzad Modeling and quantitative structure-activity study of some carboxylate derivatives as anticancer drugs using multivariate linear regression and artificial neural networks [Volume 12, Issue 38, 2022, Pages 68-55]

D

Daemi Kabiri, Leila Solid Phase Extraction of Fluoxetine in water Samples by Carbon Nanotubes modified and its determination with Ultraviolet-Visible Spectrometry in Biological Samples [Volume 8, Issue 28, 2018, Pages 45-56]
Darugar, Vahidreza Tautomerization and Intramolecular Hydrogen bond Strength of para Chlorine-Benzoylacetone by Quantum Computation and Spectrometry Results [Volume 7, Issue 22, 2017, Pages 27-34]
Darugar, Vahidreza Theoretical and experimental tautomerism study of para-Trifluorobenzoylacetone halogen derivatives using DFT and vibrational spectroscopy [Volume 9, Issue 29, 2019, Pages 53-71]
Dolati, Fatemeh A Study of the adsorption of CO on cobalt nanostructures: Cubic and hexagonal crystalline phases [Volume 8, Issue 26, 2018, Pages 77-85]
Dolati, zohre A Study of the adsorption of CO on cobalt nanostructures: Cubic and hexagonal crystalline phases [Volume 8, Issue 26, 2018, Pages 77-85]
Donyagard Vajed, Shaghayegh Extraction of drugs in water Samples by Carbon Nanotubes modified and Measurement with Ultraviolet-Visible Spectrometry [Volume 8, Issue 26, 2018, Pages 39-48]

E

Ebrahimi, Ali Theoretical Study of Response of [5]Staffane Nanostructure and its Polyyne Analogue to Tension [Volume 1, Issue 1, 2011, Pages 17-26]
Ebrahimi, Ali p [Volume 7, Issue 21, 2017, Pages 15-28]
Ebrahimi, Mahmood Study of molecular and electronic structure of a new proton transfer compound with 2,6–pydc and py–3–cm: Synthesis and DFT calculations [Volume 7, Issue 23, 2018, Pages 1-10]
Ebrahimi, Mahmood Modeling and quantitative structure-activity study of some carboxylate derivatives as anticancer drugs using multivariate linear regression and artificial neural networks [Volume 12, Issue 38, 2022, Pages 68-55]
Eshghi, Hosein Tautomerization and Intramolecular Hydrogen bond Strength of para Chlorine-Benzoylacetone by Quantum Computation and Spectrometry Results [Volume 7, Issue 22, 2017, Pages 27-34]
Esmaeili, Ali Investigation of Jahn-Teller Effect in Distortion of OX2 (X=Cl. Br. I) Molecular System [Volume 9, Issue 30, 2019, Pages 21-31]

F

F, p Modeling and quantitative structure-activity study of some carboxylate derivatives as anticancer drugs using multivariate linear regression and artificial neural networks [Volume 12, Issue 38, 2022, Pages 68-55]
Farhadyar, Nazanin Solid Phase Extraction of Fluoxetine in water Samples by Carbon Nanotubes modified and its determination with Ultraviolet-Visible Spectrometry in Biological Samples [Volume 8, Issue 28, 2018, Pages 45-56]
Fazaeli, Reza Investigation of Jahn-Teller Effect in Distortion of OX2 (X=Cl. Br. I) Molecular System [Volume 9, Issue 30, 2019, Pages 21-31]
Feizyzadeh, Babak Synthesis of amidoalkyl naphthols in solvent-free conditions using iron oxide, zinc oxide and copper oxide green nanocatalysts [Volume 12, Issue 40, 2023, Pages 16-1]

G

Ghaffari Jajin, Haniye Application of genetic algorithm-Multiple linear regression for prediction of dopamine receptor 4 (D4R) antagonists of alkoxymethyl morpholines [Volume 12, Issue 38, 2022, Pages 37-27]
Ghalishourani, Farzanehsadat Calculation of radiative transition parameters for the band system of B^3 ∏_g-A^3 ∑_u^+ of N_2 molecule and 〖A^2∏〗_u-X^2 ∑_g^+ , B^2 ∑_u^+- X^2 ∑_g^+ , and B^3 ∏_g-A^3 ∑_u^+ systems of N_2^+ molecular ion using empirical potential energy functions [Volume 8, Issue 26, 2018, Pages 1-28]
Ghanbari Ghanbarloo, Maryam Studying the π-π interaction between single-stranded oligonucleotides and single-walled carbon nanotubes by molecular dynamics simulation and density functional theory [Volume 13, Issue 42, 2023, Pages 37-28]
Ghorbani, Seyed Hosein Theoretical Study on the Kinetics and Thermodynamics of the Tandem Cope-Type Hydroamination and [2,3]- Meisenheimer Rearrangement Sequence [Volume 12, Issue 38, 2022, Pages 54-46]

H

Hajikarimi, Fatemeh Study of exteraction of trace diazepam in water samples using Modified NanoTube carboxyl as sorbent [Volume 12, Issue 40, 2023, Pages 59-46]
Harati, Hossein DFT investigation of chitosan nanoparticle as hydroxyurea nanocarrier [Volume 11, Issue 37, 2022, Pages 57-46]
Hosseini, Aeyed Javad A tautomerism in 2-amino-7H-purine-6-thiol: Theoretical study using implicit/explicit salvation models [Volume 7, Issue 21, 2017, Pages 41-52]
Hosseini, Aeyed Javad Chemical composition essential oil obtained from Fruit and stem of Drema ammoniacum D. Don. By spectroscopic manner GC and GC-MS [Volume 8, Issue 25, 2018, Pages 43-55]
Hosseini, S. Asghar Isolation and Identification of Essential Oils of Prangos latiloba Korov Plant by Gas Chromatography- Mass Spectrometry [Volume 10, Issue 34, 2021, Pages 56-49]
Hosseiny, Malihesadat Synthesis of a new and recyclable Ce2Sn2O7 metal nanocatalyst for the three-component and efficient reaction (biginlli) of the 3,4-dihydropyrimidine (2H)one model [Volume 12, Issue 40, 2023, Pages 73-60]

I

Izadi, Zinab Investigation of optical properties of HgTe using density functional theory [Volume 12, Issue 39, 2023, Pages 28-16]
Izadi Nia, Jafar Chemical composition essential oil obtained from Fruit and stem of Drema ammoniacum D. Don. By spectroscopic manner GC and GC-MS [Volume 8, Issue 25, 2018, Pages 43-55]
Izadi Nia, Jafar Chemical composition of the essential oil obtained from leaf and flower of Ferula persica Willd.var. Persica By using spectroscopic manner GC and GC-MS [Volume 9, Issue 31, 2019, Pages 55-67]
Izadi Nia, Jafar Use of spectroscopic manner GC and GC/MS for chemical composition of the essential oil pulicaria gnaphalodes (Vent) BOISS. From Iran [Volume 8, Issue 28, 2018, Pages 33-43]
Izadi Nia, Jafar Chemical composition of the essential oil obtained with hydrodistillation and head space solid phase micro extraction of the Prangos uloptera DC. From IRAN by spectroscopic manner GC AND GC/MS [Volume 11, Issue 37, 2022, Pages 23-11]
Izadi Nia, Jafar Chemical composition of the essential oil of Hymenocrater bituminosus by using spectroscopic manner GC and GC/MS [Volume 12, Issue 39, 2023, Pages 79-67]

J

Jalali Sarvestani, Mohammad Reza Investigating Levodopa Adsorption on the Surface of Graphene and Carbon Nanocone by Density Functional Theory [Volume 9, Issue 30, 2019, Pages 1-20]
Jalali Sarvestani, Mohammad Reza Quetiapine Adsorption on the Surface of Fullerene (C20): A Thermodynamic Study [Volume 8, Issue 28, 2018, Pages 1-12]
Jalali Sarvestani, Mohammad Reza A Computational Study on Tetranitrocarbazole Interaction with Boron Nitride Nanocage (B12N12) [Volume 9, Issue 32, 2020, Pages 11-1]
Jamehbozorgi, Saeed The production of activated carbon from polyethyleneterephthalate (PET ) bottle waste and its use to absorbtion iron (III) from water [Volume 13, Issue 41, 2023, Pages 56-40]
Jonidei, Shima A Theoretical Study on Three Tautomeric Forms of Lenalidomide with Density Functional Theory [Volume 8, Issue 28, 2018, Pages 23-31]
Joorabloo, Mahnaz Si Adsorption on the borne phosphide honey-combe structure [Volume 13, Issue 41, 2023, Pages 14-1]

K

K, H Characterization of bio-hydrogels synthesized based on wild sage seed's gum by spectroscopic methods and evaluation of swelling and drug delivery with changes in temperature and pH [Volume 11, Issue 36, 2022, Pages 14-1]
K, M The application of multiple linear regression and artificial neural networks to study the quantitative structure-activity relationship of a group of chemokine derivatives [Volume 12, Issue 40, 2023, Pages 91-74]
Karami-Osboo, Rouhollah Review on mycotoxins determination by infrared spectroscopy and chemometrics in Food stuff [Volume 9, Issue 32, 2020, Pages 42-24]
Karami-Osboo, Rouhollah Non-destructive spectroscopic methods in the identification and quantitative measurement of various mycotoxins in pistachios [Volume 11, Issue 35, 2021, Pages 22-1]
KHadem lahiji, Fatemeh Review of the Mechanism of Acetyll amine N-Oxide Catalyzed by Carbon Gold (I) from a DFT Perspective [Volume 10, Issue 33, 2021, Pages 41-30]
Khojandi, Mahya The comparision of NQR-NMR tensors and chemical reactivity of Mirtazapine and Normirtazapine analogues using quantum mechanics methods [Volume 7, Issue 22, 2017, Pages 19-26]
Khojandi, Mahya investigation of NMR and NQR tensors in the medicinal analogues of Methylphenidate [Volume 10, Issue 34, 2021, Pages 11-1]
Kouchakzadeh, Ghazaleh A Review of the Jahn-Teller Effects (Jahn -Teller, Renner-Teller, and Pseudo Jahn -Teller): The main origin of instability and symmetry breaking of molecular systems [Volume 8, Issue 25, 2018, Pages 7-26]

L

Liaghati, Mojdeh The production of activated carbon from polyethyleneterephthalate (PET ) bottle waste and its use to absorbtion iron (III) from water [Volume 13, Issue 41, 2023, Pages 56-40]

M

M, A Green Synthesis of iron nanoparticles using peppermint extract and spectroscopic application in characterization and evaluation of its antioxidant properties [Volume 11, Issue 37, 2022, Pages 45-37]
M, B The application of multiple linear regression and artificial neural networks to study the quantitative structure-activity relationship of a group of chemokine derivatives [Volume 12, Issue 40, 2023, Pages 91-74]
M, M Green Synthesis of iron nanoparticles using peppermint extract and spectroscopic application in characterization and evaluation of its antioxidant properties [Volume 11, Issue 37, 2022, Pages 45-37]
M, M Characterization of bio-hydrogels synthesized based on wild sage seed's gum by spectroscopic methods and evaluation of swelling and drug delivery with changes in temperature and pH [Volume 11, Issue 36, 2022, Pages 14-1]
M, M The application of multiple linear regression and artificial neural networks to study the quantitative structure-activity relationship of a group of chemokine derivatives [Volume 12, Issue 40, 2023, Pages 91-74]
M, M Steps, calculations and results of studies of theoretical predictions of quantitative structure retention relationship (QSRR) of Pittosporum undulatum essential oil [Volume 13, Issue 41, 2023, Pages 109-73]
Madadi Mahani, Nosrat QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors [Volume 7, Issue 22, 2017, Pages 57-65]
Maham, Mehdi a [Volume 1, Issue 1, 2011, Pages 33-40]
Mahmoudi, Ali effect of G-quadruplex on aromaticity of phenanthroline based ligands: mlecular dynamics simulation and density functional theory methods [Volume 12, Issue 39, 2023, Pages 38-29]
Masoomi Aladezgeh, Samira Application of genetic algorithm-Multiple linear regression for prediction of dopamine receptor 4 (D4R) antagonists of alkoxymethyl morpholines [Volume 12, Issue 38, 2022, Pages 37-27]
Mehrani, Kheyrollah Investigation the conformational stability2-methyl-pyrimidin-4-ol using Quantum chemical [Volume 9, Issue 29, 2019, Pages 87-99]
Mehrzad, Jamshid Synthesis 3a, 4-dihydronaphtho [2, 3-c] furan-1(3H)-one in the presence of CO2 and NiCo2O4 Nano catalyst [Volume 13, Issue 42, 2023, Pages 13-1]
Meisami, Mohammad Reza The electronic and molecular structures of some new Cu(II) complexes with tripodal amine ligands: DFT studies [Volume 9, Issue 29, 2019, Pages 1-15]
Miralinaghi, Mahsasadat Calculation of radiative transition parameters for the band system of B^3 ∏_g-A^3 ∑_u^+ of N_2 molecule and 〖A^2∏〗_u-X^2 ∑_g^+ , B^2 ∑_u^+- X^2 ∑_g^+ , and B^3 ∏_g-A^3 ∑_u^+ systems of N_2^+ molecular ion using empirical potential energy functions [Volume 8, Issue 26, 2018, Pages 1-28]
Mohadesi zarandi, Alireza QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors [Volume 7, Issue 22, 2017, Pages 57-65]
Mohammad Abadi, Rezvan Conformational analysis of For-L-Ser-L-Ala-NH2 protected dipeptide using quantum calculations: A DFT study [Volume 9, Issue 31, 2019, Pages 17-29]
Mohammad Ebrahimzadeh Sepasgozar, Samaneh Synthesis of amidoalkyl naphthols in solvent-free conditions using iron oxide, zinc oxide and copper oxide green nanocatalysts [Volume 12, Issue 40, 2023, Pages 16-1]
Mohammadhosseini, Majid Modeling and quantitative structure-property relationship (QSPR) study to predict the acidic constants of some chemical compounds using multiple linear regression and support vector machine [Volume 9, Issue 32, 2020, Pages 86-69]
Mohammadi, Najmeh QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors [Volume 7, Issue 22, 2017, Pages 57-65]
Mohammadinasab, esmat Investigation of Jahn-Teller Effect in Distortion of OX2 (X=Cl. Br. I) Molecular System [Volume 9, Issue 30, 2019, Pages 21-31]
Mohseni, Sharareh Synthesis of amidoalkyl naphthols in solvent-free conditions using iron oxide, zinc oxide and copper oxide green nanocatalysts [Volume 12, Issue 40, 2023, Pages 16-1]
Momen Heravi, Mohammad Investigating the effect of external electric field on the neurotransmitters acetylcholine, dopamine, GABA, glutamate and serotonin using density functional theory method [Volume 13, Issue 41, 2023, Pages 72-57]
Moosavi-Tekyeh, Zainab Intramolecular Hydrogen Bonding of (E)-N'-(n-Fluoro-2-hydroxybenzylidene) Nicotinohydrazide: A DFT study [Volume 7, Issue 23, 2018, Pages 11-19]
Morsali, Ali Structural study of a new copper complex using experimental method and quantum calculations and its application in the synthesis of pyranopyrimidines as catalyst [Volume 11, Issue 37, 2022, Pages 36-24]
Morsali, Ali DFT investigation of chitosan nanoparticle as hydroxyurea nanocarrier [Volume 11, Issue 37, 2022, Pages 57-46]
Morsali, Ali effect of G-quadruplex on aromaticity of phenanthroline based ligands: mlecular dynamics simulation and density functional theory methods [Volume 12, Issue 39, 2023, Pages 38-29]
Morsali, Ali Synthesis of amidoalkyl naphthols in solvent-free conditions using iron oxide, zinc oxide and copper oxide green nanocatalysts [Volume 12, Issue 40, 2023, Pages 16-1]
Motavalizadehkakhky, Alireza Synthesis of new magnetic FeNi3 / SiO2 / PPA magnetic nanocatalysts in tetrahydrobenzo [a] xanthene-11-ones reaction under solvent-free conditions [Volume 9, Issue 30, 2019, Pages 59-47]
Motavalizadehkakhky, Alireza Synthesis of a new and recyclable Ce2Sn2O7 metal nanocatalyst for the three-component and efficient reaction (biginlli) of the 3,4-dihydropyrimidine (2H)one model [Volume 12, Issue 40, 2023, Pages 73-60]
Motavalizadehkakhky, Alireza Synthesis 3a, 4-dihydronaphtho [2, 3-c] furan-1(3H)-one in the presence of CO2 and NiCo2O4 Nano catalyst [Volume 13, Issue 42, 2023, Pages 13-1]
Mppsavi, Syed Hamed Application of multivariate linear regression and artificial neural networks to predict the antimicrobial activity of some anilide derivatives by quantitative structure-activity relationship (QSAR) method [Volume 11, Issue 35, 2021, Pages 82-70]

N

N, M Modeling and quantitative structure-property relationship studying to predict the half-life of polychlorinated biphenyls using multivariate linear regression and artificial neural networks [Volume 10, Issue 33, 2021, Pages 63-49]
N, M Steps, calculations and results of studies of theoretical predictions of quantitative structure retention relationship (QSRR) of Pittosporum undulatum essential oil [Volume 13, Issue 41, 2023, Pages 109-73]
Nekoei, Mehdi Conformational analysis of For-L-Ser-L-Ala-NH2 protected dipeptide using quantum calculations: A DFT study [Volume 9, Issue 31, 2019, Pages 17-29]
Nekoei, saeed Prediction of Retention Index of Ammoides Atlantica Compounds Using Quantitative Structure-Retention Relationship Study (QSRR) [Volume 10, Issue 34, 2021, Pages 48-37]
Nekoei, Saeed Modeling and quantitative structure-retention relationship (QSRR) studying of the constituents of Citrus. sinensis CV. Thamson extracted by gas chromatography-mass spectrometry using genetic algorithm-multiple linear regression [Volume 10, Issue 33, 2021, Pages 76-64]

O

Omidinia, Raheleh Structural study of a new copper complex using experimental method and quantum calculations and its application in the synthesis of pyranopyrimidines as catalyst [Volume 11, Issue 37, 2022, Pages 36-24]

P

Pourbasheer, Eslam Application of genetic algorithm-Multiple linear regression for prediction of dopamine receptor 4 (D4R) antagonists of alkoxymethyl morpholines [Volume 12, Issue 38, 2022, Pages 37-27]

Q

Qomi, Mahnaz Removal of lead (II) using modified octadecyl silica nanomagnetic disks with dioctyl phthalate by atomic absorption spectroscopy [Volume 10, Issue 33, 2021, Pages 48-42]

R

Raanaei, Hossein Theoretical study of the doping effects of iron and titanium atoms on the adsorption behavior of carbon nanosheet [Volume 11, Issue 37, 2022, Pages 10-1]
Rahmani, Zoha Theoretical investigations on the interactions of some drug fragments with guanine and adenine nucleic acid: DFT method, AIM analysis and NBO calculations [Volume 7, Issue 23, 2018, Pages 33-51]

S

Saberi, Shima Synthesis 3a, 4-dihydronaphtho [2, 3-c] furan-1(3H)-one in the presence of CO2 and NiCo2O4 Nano catalyst [Volume 13, Issue 42, 2023, Pages 13-1]
Sadeghpour, ahdieh The use of DFT computational method to study the effect of physical factors on the pH range of color change of Azo indicator: Methyl red and Methyl Orange [Volume 11, Issue 35, 2021, Pages 69-56]
Sahebalzamani, Hajar Investigation the conformational stability2-methyl-pyrimidin-4-ol using Quantum chemical [Volume 9, Issue 29, 2019, Pages 87-99]
Sanie, Mitra Theoretical Study on the Kinetics and Thermodynamics of the Tandem Cope-Type Hydroamination and [2,3]- Meisenheimer Rearrangement Sequence [Volume 12, Issue 38, 2022, Pages 54-46]
Seif, Ahmad Theoretical Study on the Kinetics and Thermodynamics of the Tandem Cope-Type Hydroamination and [2,3]- Meisenheimer Rearrangement Sequence [Volume 12, Issue 38, 2022, Pages 54-46]
Shabani, Mohsen Calculation of radiative transition parameters for the band system of B^3 ∏_g-A^3 ∑_u^+ of N_2 molecule and 〖A^2∏〗_u-X^2 ∑_g^+ , B^2 ∑_u^+- X^2 ∑_g^+ , and B^3 ∏_g-A^3 ∑_u^+ systems of N_2^+ molecular ion using empirical potential energy functions [Volume 8, Issue 26, 2018, Pages 1-28]
Shah Velayatih, ashraf Sadat Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]
Shams, Fatemeh Quantitative structure–activity relationship study for predicting activity of some medicine compounds by firefly algorithm [Volume 8, Issue 26, 2018, Pages 49-65]
Shanbedi, Amin An investigation of bulk module , Pressure transition and electronic properties of Calcium Carbonate using pseudopotential method [Volume 11, Issue 36, 2022, Pages 62-52]
Shashmani, Shabnam Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]
Shiroudi, Abolfazl Theoretical study on the kinetics and mechanism of the atmospheric oxidation of acenaphthylene initiated by hydroxyl radical. Hydrogen Abstraction pathway [Volume 10, Issue 33, 2021, Pages 11-1]
Shojaee, Mohamd hoseein Review on mycotoxins determination by infrared spectroscopy and chemometrics in Food stuff [Volume 9, Issue 32, 2020, Pages 42-24]
Shojai, Mostafa Dispersive solid-phase extraction for preconcentration of Amlodipine in aqueous samples using Fe3O4@MWCNT- β cyclodextrin composite [Volume 11, Issue 35, 2021, Pages 55-43]
Simin Ghad, Masoumeh Computational study of the effect of tin oxide nanoparticles on the thermodynamic properties of Mephedrone [Volume 9, Issue 30, 2019, Pages 60-71]

T

T, A Modeling and quantitative structure-property relationship studying to predict the half-life of polychlorinated biphenyls using multivariate linear regression and artificial neural networks [Volume 10, Issue 33, 2021, Pages 63-49]
T, s Prediction of Retention Index of Ammoides Atlantica Compounds Using Quantitative Structure-Retention Relationship Study (QSRR) [Volume 10, Issue 34, 2021, Pages 48-37]
Tahan, Arezoo The comparision of NQR-NMR tensors and chemical reactivity of Mirtazapine and Normirtazapine analogues using quantum mechanics methods [Volume 7, Issue 22, 2017, Pages 19-26]
Tahan, Arezoo investigation of NMR and NQR tensors in the medicinal analogues of Methylphenidate [Volume 10, Issue 34, 2021, Pages 11-1]
Taheri, Abbass Modeling and quantitative structure-property relationship (QSPR) study to predict the acidic constants of some chemical compounds using multiple linear regression and support vector machine [Volume 9, Issue 32, 2020, Pages 86-69]
Taheri, Maryam Energetic and electronic properties of bilirubin photoisomerization products using density functional theory [Volume 12, Issue 39, 2023, Pages 50-39]
Taheryan, Roghaye Theoretical investigation of Curtius rearrangement of oxalyl di azide molecule using quantum calculations in gas phase and solution [Volume 11, Issue 35, 2021, Pages 42-31]
Tajodini, Nilofar Preconcentration of trace Co (II) in water samples using modified Multiwall nano tube carbon [Volume 11, Issue 36, 2022, Pages 28-15]
Tajodini, Nilofar Dispersive Solid phase exteraction of trace Cu (II) in water samples using modified Nano Geraphene Oxide and determination by FAAS [Volume 12, Issue 39, 2023, Pages 15-1]
Tajodini, Niloufar Preconcentration of Amlodipine using Fe3O4@MWCNT- chitosan compositeand determinated by UV-Visb in biologycal samples [Volume 9, Issue 30, 2019, Pages 45-33]
Tayyari, Sayyed Faramarz Theoretical and experimental tautomerism study of para-Trifluorobenzoylacetone halogen derivatives using DFT and vibrational spectroscopy [Volume 9, Issue 29, 2019, Pages 53-71]
Tayyari, syed Faramarz Density Functional Efficiency in the Calculations of Molecular Properties of Aceton [Volume 1, Issue 1, 2011, Pages 1-16]

V

V, A a [Volume 1, Issue 1, 2011, Pages 33-40]
Vakili, Mohammad Tautomerization and Intramolecular Hydrogen bond Strength of para Chlorine-Benzoylacetone by Quantum Computation and Spectrometry Results [Volume 7, Issue 22, 2017, Pages 27-34]
Vakili, Mohammad Theoretical and experimental tautomerism study of para-Trifluorobenzoylacetone halogen derivatives using DFT and vibrational spectroscopy [Volume 9, Issue 29, 2019, Pages 53-71]

Y

Yari, Mohammad Preconcentration of Amlodipine using Fe3O4@MWCNT- chitosan compositeand determinated by UV-Visb in biologycal samples [Volume 9, Issue 30, 2019, Pages 45-33]
Yazdanpanah, Hassan Review on mycotoxins determination by infrared spectroscopy and chemometrics in Food stuff [Volume 9, Issue 32, 2020, Pages 42-24]

Z

Zahedi, Ehsan A theoretical study on the nature of formaldehyde adsroption on the C58BN heterofullerene using DFT [Volume 9, Issue 32, 2020, Pages 23-12]
Zahedi, Ehsan Theoretical study on the kinetics and mechanism of the atmospheric oxidation of acenaphthylene initiated by hydroxyl radical. Hydrogen Abstraction pathway [Volume 10, Issue 33, 2021, Pages 11-1]
Zahedi, Ehsan Theoretical investigation of Curtius rearrangement of oxalyl di azide molecule using quantum calculations in gas phase and solution [Volume 11, Issue 35, 2021, Pages 42-31]
Zahedi, Ehsan Theoretical Study on the Kinetics and Thermodynamics of the Tandem Cope-Type Hydroamination and [2,3]- Meisenheimer Rearrangement Sequence [Volume 12, Issue 38, 2022, Pages 54-46]
Zahedi-Tabrizi, Mansoureh Investigation of intramolecular hydrogen bond in Anthranilic acid derivatives [Volume 7, Issue 23, 2018, Pages 53-66]
Zand, M|ohammad Erfan Investigating the effect of external electric field on the neurotransmitters acetylcholine, dopamine, GABA, glutamate and serotonin using density functional theory method [Volume 13, Issue 41, 2023, Pages 72-57]
Zanjanchi, Farzaneh The use of DFT computational method to study the effect of physical factors on the pH range of color change of Azo indicator: Methyl red and Methyl Orange [Volume 11, Issue 35, 2021, Pages 69-56]
Zarei, Saeed Theoretical study of the doping effects of iron and titanium atoms on the adsorption behavior of carbon nanosheet [Volume 11, Issue 37, 2022, Pages 10-1]
Zare yousefkhani, Hadi Investigation of the IntraMolecular Hydrogen Bonding in Halo, Methoxy, and Cyano-Malonealdehyde Derivatives [Volume 9, Issue 31, 2019, Pages 31-44]
Zarkoob, Fatemeh Cu (I)-Catalyzed C-C and C-N Coupling Reactions from a Theoretical Point of View [Volume 9, Issue 32, 2020, Pages 59-43]
Zhiani, Rahelej Synthesis of new magnetic FeNi3 / SiO2 / PPA magnetic nanocatalysts in tetrahydrobenzo [a] xanthene-11-ones reaction under solvent-free conditions [Volume 9, Issue 30, 2019, Pages 59-47]
Zhiani, Rahelej Synthesis of a new and recyclable Ce2Sn2O7 metal nanocatalyst for the three-component and efficient reaction (biginlli) of the 3,4-dihydropyrimidine (2H)one model [Volume 12, Issue 40, 2023, Pages 73-60]
Zhiani, Rahelej Synthesis 3a, 4-dihydronaphtho [2, 3-c] furan-1(3H)-one in the presence of CO2 and NiCo2O4 Nano catalyst [Volume 13, Issue 42, 2023, Pages 13-1]