Sara Fakhraee
Sara Fakhraee
Associate professor of computational chemistry, Payame Noor University
Verified email at pnu.ac.ir - Homepage
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
182006
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
162002
Orbital representation of kinetic energy pressure
S Fakhraee, SM Azami
The Journal of chemical physics 130 (8), 084113, 2009
112009
Decomposition of deformation density into orbital components
AH Pakiari, S Fakhraee, SM Azami
International Journal of Quantum Chemistry 108 (3), 415-422, 2008
112008
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
Deformation density components analysis of fullerene-based anti-HIV drugs
S Fakhraee, M Souri
Journal of molecular modeling 20 (11), 1-10, 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
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 100, 107649, 2020
22020
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
Ultrafast Luminescence Decay in Rhenium (I) Complexes with Imidazo [4, 5-f]-1, 10-Phenanthroline Ligands: TDDFT Method
Z Yazdanpanahfard, M Oftadeh, S Fahkraee
Physical Chemistry Research 8 (4), 609-627, 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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