نتایج جستجو برای: molecules structure
تعداد نتایج: 1719621 فیلتر نتایج به سال:
DFT and QTAIM computations have been performed on numbers of pure nitrogen cluster speciesi.e. Nn (n = 4, 6) for investigating the structure and bonding. This study is critical since thesemolecules have been nominated as the good synthetic targets of High Energy Materials (HEM).0nthe other hand the decomposition mechanism is closely depends on the bonding pattern. Thislatter concept was searche...
A new complex of cadmium was synthesized by the reaction of cadmium nitrate, potm;sium dichromate, and ethylenediamine. Its crystal structure was dete rmined by X-ray diffractomctry. It is Crystalli:tt.:d in a monoclinic system, with P21 /n(1 4) poinl group and 4 molecules of the complex in the unit ceiL The cryst,d parameters arc: a = 7.4615(7)A. h= 7.1480(2)A. c= 14.~4B5( 10)A /3= 92.(...
differential scanning calorimetry (dsc), temperature programmed desorption mass spectrometry (tpd-ms) and small angle neutron scattering (sans) were used to investigate co2 uptake by the wyodak coal. adsorption of carbon dioxide on wyodak coal was studied by dsc. the exotherms evident at low temperatures are associated with the uptake of co2 suggesting that carbon dioxide interacts strongly wit...
in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...
platelet activation and adhesion to the site of vascular injury is a dynamic process comprising reversible and irreversible phases. platelet adhesion typically occurs in a multi-step process similar to the selectin/integrin-mediated adhesion of neutrophils. this phenomenon is highly regulated and influenced by the cross-talk between platelets and injured endothelium. this cross-talk involves a ...
background: thioredoxin reductase 1 (txnrd1) and thioredoxin interacting protein (txnip) also known as thioredoxin binding protein 2 or vitamin d3-upregulated protein 1 are key players in oxidative stress control. thioredoxin (trx) is one of the major components of the thiol reducing system and plays multiple roles in cellular processes. computational analyses of txnrd1, txnip and trx expressio...
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