| برفراخ زهرا ، راوري فاطمه-454873 |
Influence of different solvents in the tautomerism of bipyridinediol by DFT method |
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- |
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2016 |
| برفراخ زهرا ، راوري فاطمه-454873 |
Influence of different solvents in the tautomerism of bipyridinediol by DFT method |
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- |
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2016 |
| برفراخ زهرا ، راوري فاطمه-454873 |
Influence of different solvents in the tautomerism of bipyridinediol by DFT method |
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- |
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2016 |
| برفراخ زهرا ، راوري فاطمه-454873 |
Simulation of Excited-State Intramolecular Proton Transfer in [2, 2?- bipyridine]-3, 3?-diol by DFT method |
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- |
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2016 |
| برفراخ زهرا ، راوري فاطمه-454873 |
Simulation of Excited-State Intramolecular Proton Transfer in [2, 2?- bipyridine]-3, 3?-diol by DFT method |
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- |
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2016 |
| برفراخ زهرا ، راوري فاطمه-454873 |
Simulation of Excited-State Intramolecular Proton Transfer in [2, 2?- bipyridine]-3, 3?-diol by DFT method |
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- |
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2016 |
| دهناد حكيمه ، تيموري عباس-393242 |
Prediction of Some Electronic Properties and C-NMR Chemical Shifts for Some 2,4,5-triphenylimidazole Derivatives By DFT Method |
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- |
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2014 |
| رضائي بهبهاني غلامرضا ، رفيعي شهناز |
The Inhibition Effects of the Various Cyclodextrins on the Aggregation of Human Serum Albumin |
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- |
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2014 |
| رضائي بهبهاني غلامرضا ، رفيعي شهناز |
Low affinity binding of Cyclodextrins to Human serum albumin in high cyclodextrins concentration |
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- |
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2014 |
| ميرخلف زاده جواد ، عبداله حسن هادي |
Charge Transfer Investigation in Graphene-pyrenebutanaoic Acid Succinimidyl Ester System: DFT Calculations |
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- |
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2014 |
| مومني مريم ، سبزيان حسن |
Computational Study of Protonated Benzene Dimer |
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- |
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2014 |
| غلاميان مرضيه ، عبداله حسن هادي |
Densirty functional theory study of hydrogen sulfide with SWCNT of (5,0) |
International congresson nanoscience and nanotechnology ICNN2012 |
- |
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2012 |
| غلاميان مرضيه ، عبداله حسن هادي |
Density functional theory study of sulfur dioxide adsorption on the internal and external of the SWCNTs |
15th Iran Physical Chemistry seminar |
2447-2449 |
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2012 |
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Influence of different solvents in the tautomerism of 2, 2? – bipyridine- 3, 3-diol by DFT method |
4th International Conference on Mechanical and Electrical Technology |
- |
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2012 |
| غلامعليان بتول ، همدانيان مسعود |
Investigation of the Interaction of carbon dioxide fluid with internal and external single-wall carbon nanotubes by DFT |
15th Iran Physical Chemistry seminar |
2469-2470 |
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2012 |
| طاهري زهره ، سهرابي نسرين-378089 |
Investigation on the Degradation Pathway of Domoic Acid(DA) Based on DFT Method and theSubstituation Effect on the Pathway in the Gas Phase |
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- |
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2012 |
| چهاردولي تپه كبودي ناصر ، سقائي لطف اله |
The Evaluation of the Medicinal Properties of the Complex of N-aryl-3-hydroxypyridine-4-ones and Its Derivatives with Fe(III) by QSAR Method |
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- |
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2012 |
| مددي ماهاني نصرت |
ONIOM calculation on the interaction between TTA derivatives and linear-dendritic coplomers |
15th Iran Physical Chemistry seminar |
3542-3543 |
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2012 |
| توتون كوبان محبوبه ، فرضي ناهيد |
Study of the Structure Effect on Water Adsorption by a Group of Nano Copper Clusters |
NANOMATERIALS: APPLICATIONS AND PROPERTIES NAP2012 |
1-3 |
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2012 |
| غلامعليان بتول |
Investigation of the Interaction of Carbon Dioxide Fluid with Internal and External (5, 0) Single Wall Carbon Nanotubes by DFT |
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- |
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2011 |
| رفيعي شهناز ، اخباري كامران |
Pyrolysis kinetics study of coordination polymer by thermal analysis |
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1541-1546 |
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2011 |
| براتي بهمن |
THEORETICAL STUDY OF 1 AND 4 BENZOQUINONE AND DIFLUORO DERIVATIVES OF BENZOQUINONE ON ZINC OXIDE NANO PARTICLES BY DFT METHOD |
Nanomaterials: Applications and Properties (NAP-2011) |
- |
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2011 |
| سلاحورزي شهريار |
Theoretical Study on the Intermolecular Interactions between1, 3, 3–trinitroazetidine (TNAZ) and H2O Based on DFT |
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- |
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2011 |
| ناصح سارا ، همدانيان مسعود |
Experimental and DFT determination of the reavtivity sites, electronic structure and polarizability of benzothiazol and tetratiafulvalene |
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2322-2324 |
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2011 |
| نصر اصفهاني وجيهه |
Gas-phase acidities of fulleropyrolidines, A AM1 study |
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219-220 |
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2010 |
| مقدري ميترا |
DFT investigation of donor-acceptor in the charge transfer molecular complexes of C3S3H6, with I2, Ibr, Icl, Br2 and Cl2 |
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209-210 |
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2010 |
| مقدري ميترا |
Donor-acceptor in the charge transfer molecular complexes of C4S4H8 and C6S3H12 with dihalogenes: DFT method |
4th Humboldt conference on computational chemistry |
- |
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2010 |
| ناصح سارا ، همدانيان مسعود |
Experimantal and theoretical determination of the dipole polarizability of substituted thiophenols |
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217-218 |
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2010 |
| صلواتي نياسري مسعود ، داور فاطمه |
Nanodimensional microreactors encapsulation of 15- and 16- membered macrocyclic schiff-base copper(II) complex nanoparticles: catalytic oxidation |
XIth Netherlands catalysis and chemistry conference |
- |
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2010 |
| توكلي زاده ليلا |
Investigation of gas energy in sentisized dye and some derivatives of N3 by DFT method |
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203-204 |
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2010 |
| توكلي زاده ليلا |
Investigation of optical properties of sentesised TiO2 nanocrystals by N3… |
3rd international cong. On nanoscience and nanotechnology |
- |
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2010 |
| رادهوش مهشيد ، همدانيان مسعود |
Investigation of the deflagration pathway for TNAZ and some of its derivatives as energetic materials by DFT method |
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- |
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2010 |
| گرامي راد منيژه |
Theoretical study of some derivatives of bis-piperidiniummethyl-thiourea as corrosion inhibitors |
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- |
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2010 |
| راستي سعيده |
The corrosion inhibition of some substituted quinolones in water solvent by DFT method |
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237-238 |
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2010 |
| سعيدي سميه ، همدانيان مسعود |
Relationship of dipole moment to hydrostatic pressure in hydrogen molecule |
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245-246 |
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2010 |
| مكي نفيسه ، خسروي فارساني مهناز |
An adsorption and thermodynamic study of cochineal dyeing on wool |
Pure and Applied Chemistry International conference (PACCON2009) |
57-57 |
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2009 |
| صلواتي نباسري مسعود |
Synthesis, characterization and catalytic oxidation by host (nanocage of zeolite-Y)/ gest (metal complexes of 12-membered thio macrocyclic Schiff-base ligand) nanocomposite materials |
IXth Netherland catalysis and chemistry conference |
241-241 |
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2008 |
| همدانيان مسعود |
The investigation of the deflagration pathway of CHNOF explosives of mono and di cyclic nitramine compounds by ab initio and semiemperical calculations |
41th IUPAC world chemistry congress |
134-134 |
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2007 |
| همدانيان مسعود |
The investigation of the deflagration pathway of CHNOF explosives of tri-cyclic nitramine compounds by Ab initio and semiemperical calculations |
41th IUPAC world chemistry congress |
140-140 |
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2007 |
