دانلود پاورپوینت Investigation theory adsorption physico-chemical number molacules on surface hetrofulleren by DFT

اختصاصی از فی دوو دانلود پاورپوینت Investigation theory adsorption physico-chemical number molacules on surface hetrofulleren by DFT دانلود با لینک مستقیم و پر سرعت .

üIntroduction(adsorption,hetrofulleren, toxic gases & Non-toxic gases)

üWhy choose toxic gases & Non-toxic gases?

üWhat is sensing's? 

üWhat is computational chemistry?

üWhat is softwears(gaussian,gauss view)

üMethod & Basisset

üCalculated parameters

üAdsorption gases,HOMO-LUMO parameters( soft,electrofilisity, Enargy gap,…)

ü             Freq (thermochemistry)

ü                         AIM

 

In heterofullerenes at least one carbon atom is replaced by another element. Based on spectroscopy, substitutions have been reported with boron (borafullerenes), nitrogen (azafullerenes), oxygen, arsenic, germanium, phosphorus, silicon, iron, copper, nickel, rhodium  and iridium. Reports on isolated heterofullerenes are limited to those based on nitrogen  and oxygen.

A pathologist will be able to tell if an individual has died as a result of any of these gases being inhaled by the colour of the deceased's blood. This normally dark purple liquid will appear bright red and also lividity in the body is altered too.

Also in instances where perhaps cyanide gases have been released - and normally this will be accidental - the pathologist if he is predisposed should be able to smell the faint smell of almonds on or around the victim's body

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