نتایج جستجو برای: epr ii basis set

تعداد نتایج: 1544489  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شهید باهنر کرمان - دانشکده ریاضی و کامپیوتر 1389

the concepts of similarity and dissimilarity have been the interest of many researchers. basically, in the studies the similarity between two objects or phenomena, has been discussed. in this thesis, we consider the case when the resemblance or similarity among three objects or phenomena of a set, 3-similarity in our terminology, is desired. later we will extend our definitions and propos...

Erik Schubert Yaser NejatyJahromy,

Electron Paramagnetic Resonance (EPR) spectroscopy, also known as Electron Spin Resonance(ESR) especially among physicists, is a strong and versatile spectroscopic method forinvestigation of paramagnetic systems, i.e. systems like free radicals and most transition metalions, which have unpaired electrons. The sensitivity and selectivity of EPR are notable andintriguing as compared to other spec...

2010
SZYMON ŁOŚ LAURENT DUCLAUX WOJCIECH KEMPIŃSKI

Two kinds of microporous activated nanostructured carbons were studied by electron paramagnetic resonance (EPR) spectroscopy. They have different specific surface areas: 1500 m2/g (AC I) and 2500 m2/g (AC II). It was observed that the EPR spectra shapes and their temperature evolution between 300 K and 4 K were depending on the types of carbon sample. Roomtemperature spectra show dissimilar lin...

Journal: :Journal of Computational Chemistry 2018

Journal: :Methods in enzymology 2015
Brian Bennett Jason M Kowalski

Copper has many roles in biology that involve the change of coordination sphere and/or oxidation state of the copper ion. Consequently, the study of copper in heterogeneous environments is an important area in biophysics. EPR is a primary technique for the investigation of paramagnetic copper, which is usually the isolated Cu(II) ion, but sometimes as Cu(II) in different oxidation states of mul...

Journal: :Chem catalysis 2021

Site-directed spin labeling (SDSL) in combination with electron paramagnetic resonance (EPR) spectroscopy probes the otherwise inaccessible structural information complex biological systems. We recently extended SDSL-EPR to reveal relative orientation and backbone dynamics of enzymes upon encapsulation mesoporous nanostructures, which set basis underlying observed biocatalytic activity. Our str...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تحصیلات تکمیلی علوم پایه زنجان - دانشکده شیمی 1391

در بخش اول این پژوهش یک لیگاند سه دندانه ای آمینو فنولی شامل یک واحد پیریدینی hlaph سنتز و با روش های طیف بینی nmr و ir شناسایی شد. کمپلکس دو هسته ای مس(ii)، [laphcucl]2، از این لیگاند سنتز و با روش های کریستالوگرافی پراش پرتو ایکس، آنالیز عنصری، محاسبات تئوری تابعیت چگالی ( dft)، روش های طیف بینی فرابنفش-مرئی، ir و مطالعات مغناطیسی شناسایی شد. بررسی های پراش پرتو ایکس این ترکیب ساختار دو هسته ...

Abraham Selvan Arunagiri Sakthivel Natarajan Raman,

A new Schiff base ligand (L) obtained by the condensation reaction of N-acetylaceto-otoluidineand 2-aminopropanoic acid (an amino acid), is used to synthesize four mononuclearcomplexes of [MLCl] and [ML2] types (where M = Cu(II) and Zn(II); L = Schiff base) bykeeping the metal and ligand ratio as 1:1 and 1:2 respectively. This ligand and its complexeshave been characterized on the basis of diff...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده علوم 1391

in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...

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