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Effect of choosing coordinate systems on computationally predicting nonradiative transition rates of flexible thermally activated delayed fluorescence molecules Min, Byeong Ki; Kim, Donggeon; Kim, Dongwook; Rhee, Young Min, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.44, no.12, pp.989 - 1003, 2023-12 |
Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: Theory, implementation, and applications to spin-orbit splitting of lower p-block atoms Kim, Inkoo; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.139, no.13, 2013-10 |
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