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Sara Fakhraee

Observed names: Fakhraee, Sara, S. FAKHRAEE, S. Fakhraee
ORCID: 0000-0002-3592-5666
Observed ORCID: 0000-0002-3592-5666
OpenAlex ID: A5064402350
Orbital representation of kinetic energy pressure
2009 · S. Fakhraee, S. M. Azami · The Journal of Chemical Physics · 20
Theoretical Study on the Unimolecular Dissociation of CH3SCH3 and CH3SCH2
2002 · S. Hosein Mousavipour, Lila Emad, et al. · The Journal of Physical Chemistry A · 20
Electron Density Analysis of Weak Van Der Waals Complexes
2006 · A. H. PAKIARI, S. FAKHRAEE · Journal of Theoretical and Computational Chemistry · 18
Insights into the mechanism of inhibition of phospholipase A2 by resveratrol: An extensive molecular dynamics simulation and binding free energy calculation
2020 · Sajedeh Sharifpour, Sara Fakhraee, et al. · Journal of Molecular Graphics and Modelling · 17
Performance of C60 fullerene, pristine, and Si/Al-doped B12N12 fullerenes as potential sensor for dacarbazine drug
2024 · Afsaneh Maleki, Sheida Esmaielzadeh, et al. · Theoretical Chemistry Accounts · 13
Decomposition of deformation density into orbital components
2007 · A. H. Pakiari, S. Fakhraee, et al. · International Journal of Quantum Chemistry · 10
The nature of resonance and hyperconjugation for cyclic β-silyl substituted carbocations: NBO, NRT, EDA, and NMR studies
2012 · Hossein A. Dabbagh, Mehdi Zamani, et al. · Research on Chemical Intermediates · 9
DFT, NBO, and NRT analysis of alkyl and benzyl β-silyl substituted cations: carbenium ion vs. silylium ion
2012 · Hossein A. Dabbagh, Mehdi Zamani, et al. · Research on Chemical Intermediates · 9
Bis-ferrocenyl-hydrazide metal complexes: studying electronic functional groups as newly potent homogeneous photocatalysts for C(sp 3 )–H and C(sp 2 )–H bond oxidation utilizing visible light condition
2023 · Mohammad Bashiri, Mona Hosseini-Sarvari, et al. · Molecular Systems Design & Engineering · 8
A new dual nickel/ferrocenyl-chalcone as photoredox catalyst along with DFT studies for the three-component domino performance
2024 · Mohammad Bashiri, Mona Hosseini-Sarvari, et al. · Journal of Photochemistry and Photobiology A Chemistry · 6
Deformation density components analysis of fullerene-based anti-HIV drugs
2014 · Sara Fakhraee, Maryam Souri · Journal of Molecular Modeling · 5
Double hydrogen bond interaction in 7-azaindole complexes with protic solvents
2016 · Sara Fakhraee, Maryam Souri · Journal of Molecular Graphics and Modelling · 4
Optimized Light-Driven CO2 Reduction and Carbonylation Reaction Using Cobalt, Nickel, and Ferrocene Complexes in a Flow Chemistry Reactor
2025 · Mohammad Bashiri, Sara Fakhraee, et al. · Industrial & Engineering Chemistry Research · 3
Transport properties of fluids using new rough hard-sphere and molecular dynamics simulation
2018 · Mitra Farhadi, Sara Fakhraee, et al. · Journal of Molecular Liquids · 3
Colorimetric detection of clotrimazole environmental pollutant using a newly developed chemosensor; an experimental and theoretical study
2024 · Hossein Tavallali, Sara Fakhraee, et al. · International Journal of Environmental & Analytical Chemistry · 2
Effective cyanide ions detection using neutral red receptor: Spectroscopic, colorimetric detection and theoretical deformation density analysis
2025 · Hossein Tavallali, Sara Fakhraee, et al. · Journal of the Chinese Chemical Society · 1
Works count: 17
Citation count: 148
H-index: 8
I10-index: 6
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