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- W2330654243 abstract "In this study, we developed the linear response function (LRF) approach for spin degree of freedom towards QM/MM boundary problem of spin-extended calculations. We examined a heme of a myoglobin to exemplify how to use our LRF approach." @default.
- W2330654243 created "2016-06-24" @default.
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- W2330654243 date "2014-03-19" @default.
- W2330654243 modified "2023-09-23" @default.
- W2330654243 title "A Spin Density Version of Linear Response Function: Toward Guidelines of QM/MM Boundaries for Reliable Computations" @default.
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- W2330654243 doi "https://doi.org/10.7566/jpscp.1.016015" @default.
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