Sara Fakhraee
Sara Fakhraee
Associate professor of computational chemistry, Payame Noor University
Verified email at pnu.ac.ir
Title
Cited by
Cited by
Year
Electron density analysis of weak van der Waals complexes
AH Pakiari, S Fakhraee
Journal of Theoretical and Computational Chemistry 5 (03), 621-631, 2006
162006
Theoretical Study on the Unimolecular Dissociation of CH3SCH3 and CH3SCH2
SH Mousavipour, L Emad, S Fakhraee
The Journal of Physical Chemistry A 106 (11), 2489-2496, 2002
142002
Decomposition of deformation density into orbital components
AH Pakiari, S Fakhraee, SM Azami
International Journal of Quantum Chemistry 108 (3), 415-422, 2008
102008
Orbital representation of kinetic energy pressure
S Fakhraee, SM Azami
The Journal of chemical physics 130 (8), 084113, 2009
92009
The nature of resonance and hyperconjugation for cyclic β-silyl substituted carbocations: NBO, NRT, EDA, and NMR studies
HA Dabbagh, M Zamani, S Fakhraee
Research on Chemical Intermediates 39 (5), 2011-2033, 2013
52013
DFT, NBO, and NRT analysis of alkyl and benzyl β-silyl substituted cations: carbenium ion vs. silylium ion
HA Dabbagh, M Zamani, S Fakhraee
Research on Chemical Intermediates 38 (7), 1551-1570, 2012
52012
Surface modification of γ-alumina by NaNO2, NaNO3, HNO2, HNO3 and H2SO4: A DFT-D approach
M Zamani, HA Dabbagh
Iranian Journal of Catalysis 6 (4), 345-353, 2016
42016
Deformation density components analysis of fullerene-based anti-HIV drugs
S Fakhraee, M Souri
Journal of molecular modeling 20 (11), 2486, 2014
42014
Double hydrogen bond interaction in 7-azaindole complexes with protic solvents
S Fakhraee, M Souri
Journal of Molecular Graphics and Modelling 70, 45-53, 2016
32016
Transport properties of fluids using new rough hard-sphere and molecular dynamics simulation
M Farhadi, S Fakhraee, F Akbari
Journal of Molecular Liquids 274, 246-253, 2019
12019
Insights into the mechanism of inhibition of phospholipase A2 by resveratrol: An extensive molecular dynamics simulation and binding free energy calculation
S Sharifpour, S Fakhraee, R Behjatmanesh-Ardakani
Journal of Molecular Graphics and Modelling, 107649, 2020
2020
AIM and NBO Analyses of Cation-π Interaction between Benzene and Lithium Cation
S Fakhraee, N Davoodian
2014
The Analysis of Energy gap of Novel Star-shaped Nano-sheets Based on the Geometrical Symmetry
S Fakhraee, N Davoodian
2014
Theoretical investigation on electronic structure of transition metal doped carbon nanocones
S Fakhraee, S Eydivandi
2013
TOPOLOGICAL ELECTRON DENSITY ANALYSIS OF METAL-AND NON-METAL-EMBEDDED CARBON NANOCONES
S FAKHRAEE, M PAKNEZHAD
2013
DECOMPOSITION OF DEFORMATION DENSITY OF METAL-AND NON-METAL-EMBEDDED CARBON NANOCONES
S FAKHRAEE, M PAKNEZHAD
2013
The Electronic Structure Investigation of Star-shaped Boron Nitride Sheets
S Fakhraee, N Davoodiyana
2013
The analysis of deformation density of carbon nanocone after doping the transition metals
S Fakhraee, S Eydivandi
2013
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Articles 1–18