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JKCS

Journal of the Korean Chemical Society
Bimonthly Online Journal (eISSN: 2234-8530)

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Search : "[ keyword: Triplet excited state ]" (1)
A Comparison of the Density Functional Theory Based Methodologies for the Triplet Excited State of π-Conjugated Molecules: Time-Dependent DFT (TD-DFT), TD-DFT within Tamm-Dancoff Approximation (TDA-DFT), and Spin-Unrestricted DFT (UDFT)
Chang Hwan Ahn  Dongwook Kim
Vol. 63, No. 2, pp. 73-77, Apr. 2019
10.5012/jkcs.2019.63.2.73
    π-공액계 분자 삼중항 들뜬 상태 밀도 범함수 이론 계산 ,  π-Conjugated molecule Triplet excited state DFT calcul

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ISSN(Print) 1017-2548
ISSN(Online) 2234-8530



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