نتایج جستجو برای: transition metal

تعداد نتایج: 436811  

Journal: :Progress of Theoretical Physics Supplement 2013

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - دانشکده علوم 1387

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

2004

Solid-state metal hydrides provide a safe and efficient way of storing hydrogen (Schlapbach 2002). They are commercialized for use in rechargeable batteries and developed for energy conversion devices such as fuel cells (see Hydrogen Metal Systems: Electrochemical Reactions). A great majority of metal hydrides derives from intermetallic compounds and alloys (see Hydrogen Metal Systems: Hydride ...

Journal: یافته 2005
mohammad reza Safari , safar Shams ,

Background: Free radicals and reactive oxygen species(ROS) are the most important factors in formation of oxidative stress reaction. Now, radical damage has been suggested to contribute to a wide variety of diseases such as Alzheimer, atherosclerosis and cancer. Transition metal ions in the presence of the various biomolecules produce these active compounds. The aim of this study is introducing...

Bioinorganic medicinal chemistry remains a hot field for research aimed at developing novel anti-cancer treatments. Discovery of metal complexes as potent antitumor chemotherapeutics such as cisplatin led to a significant shift of focus toward organometallic/ bioinorganic compounds containing transition metals and their chelates as novel scaffolds for drug discovery. In that way, transition met...

Journal: :journal of nanostructures 2012
m. najafi a. abbasi a. badiei

a number of redox-active coordination polymers (cps) or metal-organic frameworks (mofs) have been successfully synthesized using transition metals and bridging ligands. this article aims to deal with gathering the aforementioned disperse issues regarding the electroactive cps. it also goes towards illustrating the effects of various factors on the electrochemical behavior of cps including natur...

2001
Thomas R

A wide range of transition metal imido (TMI) complexes is studied using ab initio molecular orbital (MO) calculations. The main computational point of interest is the further testing of effective core potentials (ECPs) and valence basis sets to allow for the accurate calculation of properties for reasonably sized transition metal complexes. On the chemical side, several results from the study a...

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