نتایج جستجو برای: structural and thermodynamic parameters

تعداد نتایج: 16926004  

Journal: :Philosophical Magazine 2021

The heat capacity and magnetisation of the obtained by solid-phase method from simple oxides single-phase compound Ba2FeMoO6-δ, in which superstructural ordering Fe Mo cations occurs, was studied. anomalous behaviour temperature dependences (deviation Debye T3 law) magnetic moment (ZFC mode) is interpreted as existence a superparamagnetic state nanoscale grains. second λ-type anomaly region 300...

Avat (Arman) Taherpour Elahe Rajaeian,

The reactions of propenyl magnesium halides with ethylene were studied using ab initio calculations. The structure of the transition state and the ground state were evaluated and obtained the structural properties, theoretical thermodynamic and kinetic data i.e. rate constants of the reactions. The methods used for calculations are RHF, B3LYP and MP2 with 6-31G* b...

پایان نامه :وزارت علوم، تحقیقات و فناوری - پژوهشگاه پلیمر و پتروشیمی ایران - پژوهشکده پتروشیمی 1389

this is an original study on the effect of a polyisobutylene – polydimethylsiloxane (pibpdms) block copolymer modifier used as an interfacial active agent on the dynamics behaviour of single newtonian drops suspended in a polyisobutylene (pib) newtonian matrix. the results were divided in two sections. the first part included the experiments carried out on the non-modified and 2% block cop...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2000

رضایی صامتی , مهدی, هادیان, خاطره,

In present research,  the electrical, structural, quantum and Nuclear Magnetic Resonance (NMR) parameters of interaction of N2O gas on the B and P sites of pristine, Ga-, Si- and SiGa-doped (4,4) armchair models of boron phosphide nanotubes (BPNTs) are investigated by using density functional theory (DFT).  For this purpose, seven models for adsorption of N2O gas on the exterior surfaces of BPN...

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