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열활성지연형광 유기분자의 광물리 성질과 초분자 복합체의 안정성에 대한 전산화학 연구

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Abstract
Density functional theory (DFT) method is known to be a powerful method for calculating not only the energy at the exact ground state, but also the various factors that determine the properties of the molecule. In addition, the phenomenon involving the excited state, such as electronic transition can be dealt with using time-dependent density functional theory (TD-DFT) method. In this paper, we have studied on TADF, which have recently in limelight as the luminescent principle of next-generation light-emitting diodes (OLEDs) using DFT and TD-DFT methods. In particular, on the second main topic, studies on supramolecular systems have been successful in explaining the experimental results by using the DFT method strategically. The following text gives you more insight into the useful and varied uses of computational chemistry.
Author(s)
오지훈
Issued Date
2019
Awarded Date
2019-02
Type
Dissertation
Keyword
Computation chemistryDensity functional theory (DFT)Time-dependent DFTTADFSupramolecular chemistry
URI
https://oak.ulsan.ac.kr/handle/2021.oak/6942
http://ulsan.dcollection.net/common/orgView/200000180689
Alternative Author(s)
Jihun Oh
Affiliation
울산대학교
Department
일반대학원 화학과
Advisor
정재훈
Degree
Master
Publisher
울산대학교 일반대학원 화학과
Language
eng
Rights
울산대학교 논문은 저작권에 의해 보호받습니다.
Appears in Collections:
Chemistry > 1. Theses (Master)
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