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The Journal of Physical Chemistry. A|November 17, 2010
Computational insight into the static and dynamic polarizabilities of aluminum nanoclustersMojtaba Alipour, Afshan MohajeriThe Journal of Physical Chemistry. A|June 19, 2010
Molecular electrostatic potential as a tool for evaluating the etherification rate constantMojtaba Alipour, Afshan MohajeriThe Journal of Chemical Physics|April 3, 2012
B2-PPW91: a promising double-hybrid density functional for the electric response propertiesAfshan Mohajeri, Mojtaba AlipourThe Journal of Physical Chemistry. A|April 5, 2011
Halogen-hydride interaction between Z-X (Z = CN, NC; X = F, Cl, Br) and H-Mg-Y (Y = H, F, Cl, Br, CH3)Afshan Mohajeri, Mojtaba Alipour, Mahboubeh MousaeeJournal of Computational Chemistry|June 19, 2007
Application of quantum topological molecular similarity descriptors in QSPR study of the O-methylation of substituted phenolsBahram Hemmateenejad, Afshan MohajeriThe Journal of Physical Chemistry. A|May 28, 2011
Structure and electronic properties of amino acid ionic liquidsAfshan Mohajeri, Abolfazl AshrafiThe Journal of Physical Chemistry. A|April 18, 2012
Nano structures of group 13-15 mixed heptamer clusters: a computational studyAfshan Mohajeri, Mahsa EbadiPhysical Chemistry Chemical Physics : PCCP|March 27, 2019
The interplay between structural perfectness and CO oxidation catalysis on aluminum, phosphorous and silicon complexes of corrolesAfshan Mohajeri, Nasim HassaniPhysical Chemistry Chemical Physics : PCCP|August 7, 2015
Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells--a DFT studyAfshan Mohajeri, Akbar OmidvarJournal of Computational Chemistry|April 11, 2018
Dipole moments of molecules with multi-reference character from optimally tuned range-separated density functional theoryMojtaba AlipourPageof 5