????????? ?????? ? ?????????? ????: ??????????? ???????? DFT ?? ???????????? ?????????????

نویسندگان

چکیده

???????i? ??i??i??????? ?? ??i???i????? ???? ???i?? ? ?????????? ???? ????i????? ???????? ?????i?????? ???????????i? ???????? ?i?i????? ???????????. ??????i?? i???????????? ?i?????? ??? ?????i ?????????i????? ?????????? (IEF-PCM) ?????????? ?????? ?????????? ???????????????? ?? ?i??i ????i? B3LYP/6-311++G(d,p). ??????i ??’???? ?i? ????????? ????????? ????i? ? ????????? (AIM) i ????????????? ???????i? (NCI). ?????? ???i?????? ????????????????? I ??????????? ?????i?????? ??????i? ??????? ?????????i ???????????, ?? ????i??? i???i???? ? ???????? ??i???i?????? 4 ????.

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ژورنال

عنوان ژورنال: Ukrainian Journal of Physics

سال: 2022

ISSN: ['2071-0186', '2071-0194']

DOI: https://doi.org/10.15407/ujpe67.8.602