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List of works by Afshan Mohajeri

Application of quantum topological molecular similarity descriptors in QSPR study of the O-methylation of substituted phenols.

scientific article published in January 2008

B2-PPW91: A promising double-hybrid density functional for the electric response properties ⬇️

scientific article published on March 28, 2012

Computational insight into the static and dynamic polarizabilities of aluminum nanoclusters

scientific article published on 15 November 2010

Deep eutectic-water binary solvent associations investigated by vibrational spectroscopy and chemometrics

article

Detection and evaluation of hydrogen bond strength in nucleic acid base pairs.

scientific article

Fine Structural Tuning of Thieno[3,2- b] Pyrrole Donor for Designing Banana-Shaped Semiconductors Relevant to Organic Field Effect Transistors

scientific article published on 08 January 2019

Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells--a DFT study.

scientific article

Halogen-hydride interaction between Z-X (Z = CN, NC; X = F, Cl, Br) and H-Mg-Y (Y = H, F, Cl, Br, CH3)

scientific article published on 01 April 2011

Modeling calcium channel antagonistic activity of dihydropyridine derivatives using QTMS indices analyzed by GA-PLS and PC-GA-PLS.

scientific article published on 14 September 2007

Molecular electrostatic potential as a tool for evaluating the etherification rate constant.

scientific article published in July 2010

Nano structures of group 13-15 mixed heptamer clusters: a computational study

scientific article published on 27 April 2012

Reply to the 'Comment on "Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells--a DFT study"' by D. S. Sabirov, A. O. Terentyev and I. S. Shepelevich, Phys. Chem. Chem. Phys., 2016, DOI

scientific article published on 19 January 2016

Structure and electronic properties of amino acid ionic liquids

scientific article published on 26 May 2011

The Evolution of Electronic and Magnetic Properties of the Chain and Sheet Assemblies Based on Planar Tetracoordinate Carbon C2Al4(CH3)8.

scientific article published on 9 April 2018

The interplay between structural perfectness and CO oxidation catalysis on aluminum, phosphorous and silicon complexes of corroles

scientific article published on 01 April 2019

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