شماره ركورد كنفرانس :
4887
عنوان مقاله :
Ab Initio Study on Structure and Charge of Imidazolium Based Ionic liquids Catalysts with Organic and Inorganic Anions
پديدآورندگان :
Bagheri Narges College of Chemistry Sciences, Department of Chemistry, Islamic Azad University, Firoozabad Branch, Firoozabad, Iran , Jafari Azar College of Chemistry Sciences, Department of Chemistry, Islamic Azad University, Firoozabad Branch, Firoozabad, Iran , Sadeghpour Neda College of Chemistry Sciences, Department of Chemistry, Islamic Azad University, Firoozabad Branch, Firoozabad, Iran
تعداد صفحه :
۵
كليدواژه :
Ionic Liquids , Density Functional Theory , Binding Energy.
سال انتشار :
۱۳۹۳
عنوان كنفرانس :
پانزدهمين كنگره ملي مهندسي شيمي ايران
زبان مدرك :
انگليسي
چكيده فارسي :
In this paper some ionic liquids as catalyst and solvent have been Studied theoreticaly. All calculations have been performed by using Gaussian 09 using B3LYP and HF methods in, conjunction with 6-31+G* and 6-3ll++G** basis sets. Electric field on the some of ionic liquid. Electric field on the some of ionic liquid. Atomic charges and dipole moment and binding menergies of ionic liquid compounds have been considered Relationship between dipole moment and melting point are also studied.
كشور :
ايران
تعداد صفحه 2 :
NaN
لينک به اين مدرک :
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