@article {
author = {},
title = {Solitonic States in Organic Conducting Polymers},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {1-7},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {In a typical solitonic distribution, the soliton density is distributed over the entire moleculeand the present work shows how its density can be decomposed into solitonic and antisolitoniccomponents. It is found that there exists a unique electron as soliton over the anionicnanoconductor, while there are many other solitons and antisolitons. The solitonic states are furtherdecomposed to the canonical molecule orbitals including the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital (LUMO), and it is concluded that LUMO is notnecessarily occupied by one electron in the studied molecules. Also, analogous electrons werefound to be responsible for spin separation which is revealed from distinct contributions in differentmolecular regions of the nanoconductor.},
keywords = {Nanoconductor,Soliton,Spin},
url = {http://jpe.miau.ac.ir/article_2296.html},
eprint = {}
}
@article {
author = {},
title = {Theoretical investigation on the aromaticity of mono-substituted benzene derivatives by using cyclic reference},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {72-77},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {The degree of aromaticity of mono-substituted derivatives of benzene has beeninvestigated using a new index based on electric field gradient index, by using two mechanicalquantum methods with Gaussian 03. Two different basis sets have applied to study and theresults compared. This strategy has demonstrated that, due to violation of symmetry in have pisystems,how the degree of aromaticity can have been changed. A comparison of the values ofour aromaticity index with other indices reveals a good correlation for these compounds},
keywords = {Mono-substituted benzene,Electrostatic Field Gradient,EFG,Aromaticity},
url = {http://jpe.miau.ac.ir/article_136.html},
eprint = {http://jpe.miau.ac.ir/article_136_2cd12903f34cb540a246111156f1fd31.pdf}
}
@article {
author = {},
title = {Voltammetric determination of cysteine at a carbon paste electrode modified with Cu(II)-salen complex},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {78-81},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {The electrochemical behavior of a modified carbon paste electrode (MCPE) with N,N′ethylenbis(salicylideneiminato)copper(II) complex ([Cu(II)-Salen]) was investigated as a newsensor for cystein. The Britton-Robinson buffer with pH 5, 10% modifier in electrode, potentialscanning rate of 20 mVs-1 and puls height of 50 mV were used as the optimum condition for thedetermination of cysteine using carbon paste electrode modified with Cu(II)-Salen complex. Underthese optimum conditions, the resulting electrode demonstrated linear response with cysteineconcentration in the range of 1-10 and 10-80 μM. The effects of potential interfering species werestudied and it was found that only thiocyanate ion interfered in cysteine determination and theproposed procedure was free from most other interferences.},
keywords = {Modified carbon paste,Cu(II)-Salen,Voltammetric determination,Cysteine},
url = {http://jpe.miau.ac.ir/article_137.html},
eprint = {http://jpe.miau.ac.ir/article_137_97abda3b372f1e1d0b3d617640926db7.pdf}
}
@article {
author = {},
title = {Study of lone pair description in molecules by the modified delocalized floating spherical Gaussian orbital method.},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {82-88},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {This research has been carried out to study and find a rather general description for a lone pairorbital in molecules. Since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; theFSGO method including optimization has been used to obtain orbital parameters and energy. Theproposed models for lone pair description have been tested by two molecules: HF and NH.29models for HF and 23 models for NH have been used to obtain simultaneously correct bond lengthand dipole momentum. We show that contribution of lone pair electrons in binding givessatisfactory results. An approach which we called “Modified Delocalized Floating sphericalGaussian orbital (MDFSGO)” method was performed for these molecules. The linear combinationof p-type and s-type orbital are tested. They can predict only correct bond length or dipolemomentum, but the contribution of lone pair electrons in binding can predict rather satisfactoryresults for both bond length and dipole momentum. By using this method, the error of dipolemoment and bond length decrease from 229.75% to %9.72 and from 27.28% to 4.03% in HFmolecule. For NH, the error of dipole momentum changes from 256.45% to 8.023% and for bondlength from 32.84% to 1.92%.},
keywords = {FSGO,MDFSGO,Orbital,Lone pair,Gaussian,Dipole moment},
url = {http://jpe.miau.ac.ir/article_138.html},
eprint = {http://jpe.miau.ac.ir/article_138_d41546bdf47f6269630fc48829438a96.pdf}
}
@article {
author = {},
title = {Ion-Selective Carbon Paste Electrode Based on 2-Amino-N-benzthioazolyl Benzamide (ABTB) for Determination of Copper (II) by Potentiometric Method},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {89-96},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {2-Amino-N-benzthioazolyl benzamide (ABTB) was synthesized, characterized and used for thefabrication of a potentiometric sensor for Cu2+ metal ions. The electrode exhibits linear response to Cu(II) over a wide concentration range (4.79×10 -8 – 1.85×10 -1 M) with Nernstian slope of 30 ± 1.5 mVper decade. The electrode can be used in the pH range from 2 to 9. It has a fast response time of about10 s and can be used for a period of four months with good reproducibility. The detection limit of thiselectrode was 2.91×10 - 8 M. The proposed electrode shows a very good selectivity for Cu (II) over awide variety of metal ions. This chemically modified carbon paste electrode was successfully used forthe determination of Cu (II) in electronics waste sample solution.},
keywords = {Carbon paste electrode,Cu (II),Potentiometric Method,ABTB,Ion-selective electrodes},
url = {http://jpe.miau.ac.ir/article_139.html},
eprint = {http://jpe.miau.ac.ir/article_139_d1e2aed825df0d2c8aac48d33e4385fa.pdf}
}
@article {
author = {},
title = {A numerical renormalization group approach for calculating the spectrum of a vibronic system occurring in molecules or impurities in insulators},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {97-102},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {Theoretically, in order to describe the behavior of a spectrum, a mathematical model whichcould predict the spectrum characteristics is needed. Since in this study a Two-state system has beenused like models which was introduced previously past and could couple with the environment, theformer ideas have been extended in this study. we use the second quantized version for writing thisHamiltonian. First, the Hamiltonian of a rotational system is considered in a classic scale,afterwards it is brought to a quantum scale. In the first step, the vibrations and quantum rotation isillustrated for two atom molecules. Then it is devoted to Two-state system and dissipative Twostatesystem.In the second step, the rotation of a molecular group in a hindering potential is studied in theclassic and quantum scales. Finally, at the present of strong coupling constant the Hamiltonian hasbeen applied and a numerical renormalization group approach has been used for numerical solution.Then, by using Hubbard operators, dynamical functions of this oprators are written. The fouriertransform of the Greens function is developed, then density of state is calculated.},
keywords = {Inelastic neutron scattering,Two state system,Second quantized,Hubbard operators,Numerical solution},
url = {http://jpe.miau.ac.ir/article_140.html},
eprint = {http://jpe.miau.ac.ir/article_140_42167424f2ba1b86e93ba1479eac825d.pdf}
}
@article {
author = {},
title = {Electrochemical fabrication of polypyrrole nanofibers and their characterization},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {103-108},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {Polypyrrole (PPy) nanofibers have been fabricated on glassy carbon electrode (GCE) usingelectrochemical technique. Electropolymerization of pyrrole (Py) for the fabrication of PPy nanofiberswas occurred on GCE by applying a fixed potential of about 0.85 V for 120 sec in a mild basic solutioncontaining sodium carbonate and sodium perchlorate. In the mild basic media, the monomer, Py, isoxidized on GCE at a potential of about 0.85 V vs. Ag/AgCl and the oxidation product of Py i.e.polypyrrole nanofibers is strictly adsorbed on the electrode surface. Cyclic voltammetry,electrochemical impedance spectroscopy and scanning electron microscopy were used for studying theelectrochemical and morphological properties of electropolymerized PPy conducting polymer. Thesetechniques confirm the electropolymerization of Py as PPy nanofibers on the electrode surface.},
keywords = {Conducting Polymers,Electropolymerization,Polypyrrole,Nanofibers},
url = {http://jpe.miau.ac.ir/article_141.html},
eprint = {http://jpe.miau.ac.ir/article_141_cb9cc6f9fb71c59839604714ac0c86fc.pdf}
}
@article {
author = {},
title = {An equation of state for argon},
journal = {Journal of Physical Chemistry & Eleectrochemistry},
volume = {2},
number = {1},
pages = {109-113},
year = {2014},
publisher = {Marvdasht Branch, Islamic Azad University},
issn = {2008-9228},
eissn = {2423-7264},
doi = {},
abstract = {An analytical equation of state was applied to calculate the thermodynamic properties for argon.The equation of state is that of Song and Mason. It is based on a statistical-mechanical perturbationtheory of the hard convex bodies and can be written as fifth-order polynomial in the density. Thereexist three temperature-dependent parameters: the second virial coefficient, an effective molecularvolume, and a scaling factor for the average contact pair distribution function of hard convexbodies. We used Lennard-Jones (12-6) potential for calculation of temperature-dependentparameters. The equation of state has been applied to calculate thermodynamic properties includingthe vapor pressure curve, the compressibility factor, fugacity coefficient for argon. The agreementwith experiment is good.},
keywords = {Argon,Equation of state,thermodynamic properties},
url = {http://jpe.miau.ac.ir/article_142.html},
eprint = {http://jpe.miau.ac.ir/article_142_d2359362d4d8370b9c861c44f437217c.pdf}
}