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Very-Large-Scale GPU-Accelerated Nuclear Gradient of Time-Dependent Density Functional Theory with Tamm-Dancoff Approximation and Range-Separated Hybrid Functionals.
Kim I, Jeong D, Weisburn LP, Alexiu A, Van Voorhis T, Rhee YM, Son WJ, Kim HJ, Yim J, Kim S, Cho Y, Jang I, Lee S, Kim DS. Kim I, et al. Among authors: cho y. J Chem Theory Comput. 2024 Oct 22;20(20):9018-9031. doi: 10.1021/acs.jctc.4c01003. Epub 2024 Oct 7. J Chem Theory Comput. 2024. PMID: 39373529
Chromium porphyrin arrays as spintronic devices.
Cho WJ, Cho Y, Min SK, Kim WY, Kim KS. Cho WJ, et al. Among authors: cho y. J Am Chem Soc. 2011 Jun 22;133(24):9364-9. doi: 10.1021/ja111565w. Epub 2011 May 25. J Am Chem Soc. 2011. PMID: 21612202
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