Abdo‐Reza Nekoei

Shiraz University of Technology — IR

Physics and Astronomy · Physical Sciences

17h-index959citations50works0.72yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(11), Photochemistry and Electron Transfer Studies(10), Molecular Spectroscopy and Structure(9), Fullerene Chemistry and Applications(8), Nonlinear Optical Materials Research(7)

Publications50 total

Insights into intramolecular hydrogen bonding and π-electron delocalization; a case study on some β-diketone compounds, with special focus on 2-furoylacetone
Computational and Theoretical Chemistry·2025· 1 cited
Mechanisms behind the changes in zein colloidal composite nanoparticles under different mass ratios and pH conditions
LWT·2024Open Access
Mechanisms Behind the Changes in Zein Colloidal Composite Nanoparticles Under Different Mass Ratios and Ph Conditions
SSRN Electronic Journal·2024· 1 citedOpen Access
Introducing a novel C50N10 azafullerene with chained nitrogen atoms on a buckyball pole: structure, stability, vibration, and electronic properties
Journal of Molecular Modeling·2023
Introducing a novel C50N10 azafullerene with chained nitrogen atoms on a buckyball pole; structure, stability, vibration and electronic properties
Research Square (Research Square)·2023Open Access
Mechanisms Behind the Changes in the Structure and Interfacial Properties of Zein Colloidal Composite Nanoparticles Upon Antisolvent Co-Precipitation with Farsi Gum Under Different Mass Ratios and Ph Conditions
SSRN Electronic Journal·2023Open Access
First-principle study on the conductance performance of Salicylidene Ethylamine molecular optical switch and its alkyl halide derivatives
Optical and Quantum Electronics·2022· 3 cited
Electronic transport behavior of 2-amino-4,5-bis(2,5-dimethylthiophen-3-yl)furan-3-carbonitrile (a diarylethene) as optical molecular switch: a first-principles approach
Theoretical Chemistry Accounts·2021· 3 cited
Metal oxide adsorption on fullerene C<sub>60</sub> and its potential for adsorption of pollutant gases; density functional theory studies
RSC Advances·2021· 33 citedOpen Access
Structural, electronic, vibrational and optical properties of all 23 isolated-pentagon rule isomers of C58N2 azafullerene; a DFT study
Computational and Theoretical Chemistry·2020· 4 cited
DFT investigation on electrophilic and nucleophilic activities of some nitrogen-doped fullerenes, in comparison to C60
Structural Chemistry·2019· 6 cited
DFT investigation on some nitrogen-doped fullerenes with more antiradical and antioxidant activities than C60
Structural Chemistry·2019· 9 cited
Development of casein‐based nanoencapsulation systems for delivery of epigallocatechin gallate and folic acid
Food Science & Nutrition·2019· 61 citedOpen Access
π-Hydrogen bonding and aromaticity: a systematic interplay study
Physical Chemistry Chemical Physics·2018· 44 cited
Nanoencapsulation of quercetin and curcumin in casein-based delivery systems
Food Hydrocolloids·2018· 201 cited
Vibrational spectra, normal coordinate analysis, and hydrogen bond investigation of pyridinium perchlorate
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2017· 9 cited
Theoretical study on azafullerene structures with many N N connections, having an opening cavity
Computational and Theoretical Chemistry·2017· 3 cited
Normal coordinate analysis of pyridine and its C 2v 2 H-isotopomers. A new approach
Journal of Molecular Structure·2017· 4 cited
Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2017· 6 cited
Tautomerism, molecular structure, intramolecular hydrogen bond, and enol-enol equilibrium of para halo substituted 4,4,4-trifluoro-1-phenyl-1,3-butanedione; Experimental and theoretical studies
Journal of Molecular Structure·2017· 14 cited
page 1 of 3Next →

Frequent Co-authors

Mohammad Vakili(21), Sayyed Faramarz Tayyari(20), Sanaz Haghgoo(7), Seyed Mohammad Hashem Hosseini(6), Mohammad Navid Soltani Rad(6), Somayeh Behrouz(6), Sara Esteghlal(5), Raheleh Afzali(5), Morteza Vatanparast(4), Ayoub Kanaani(4), H. Rahemi(3), Yan Alexander Wang(3), Robert Erik Sammelson(3), Sirous Salemi(3), M. Hassanpour(3), Mahnoosh Hakimitabar(3), Khodabakhsh Niknam(3), Vahidreza Darugar(3), Zahra Hamzavi Hamzekhani(3), Masoud Riazi(3)