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مطالعه خواص اپتیکی 4- برمو- 3 – کلروفنول و 3 - کلرو – 4 - یدوفنول با استفاده از نظریه تابع چگالی
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نویسنده
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گلستانی رضا ,مهدوی بهنام ,رهنمای علی اباد علی اصغر
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منبع
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چهارمين كنفرانس ملي شيمي كاربردي ايران - 1398 - دوره : 4 - چهارمین کنفرانس ملی شیمی کاربردی ایران - کد همایش: 98190-11302 - صفحه:0 -0
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چکیده
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In this paper optical properties of 4-bromo-3-chlorophenol and 4-chloro-3-idophenol such as real and imaginary part of dielectric function, refractive index, extinction index, electron energy loss spectroscopy (eels), reflectivity index. were studied by using full potential–linearized augmented plane wave (fp-lapw) method in the framework density functional theory (dft) with the gga approximation by wien2k package.
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کلیدواژه
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4- برمو- 3 – کلروفنول و 4- کلرو – 3- یدوفنول ، خواص نوری ، خواص الکترونی، تابع چگالی
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آدرس
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, iran, , iran, , iran
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density functional theory (dft) study on the optical properties of 4-bromo-3-chlorophenol and 4-chloro-3-idophenol
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Authors
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Abstract
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in this paper optical properties of 4-bromo-3-chlorophenol and 4-chloro-3-idophenol such as real and imaginary part of dielectric function, refractive index, extinction index, electron energy loss spectroscopy (eels), reflectivity index. were studied by using full potential–linearized augmented plane wave (fp-lapw) method in the framework density functional theory (dft) with the gga approximation by wien2k package.
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Keywords
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4-bromo-3-chlorophenol and 4-chloro-3-idophenol. ,optical properties ,electronic properties ,density functional
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