Elongation法
生体分子(核酸)
- DNA 非線形光学特性の最適化
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Y. Orimoto, and Y. Aoki, Automated property optimization via ab initio O(N) elongation method: application to (hyper-)polarizability in DNA, J. Chem. Phys., 145, 024107 (2016).
Y. Orimoto, K. Liu, and Y. Aoki, J. Comput. Chem., 36, 2103–2113 (2015). - DNA 導電性
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P. Xie, K. Liu, F. L. Gu, and Y. Aoki, Counter-ion effects of A- & B-type poly(dG)•poly(dC) and poly(dA)•poly(dT) DNA by elongation method, Int. J. Quantum Chem., 112, 230-239 (2012).Y. Orimoto, F. L. Gu, A. Imamura, and Y. Aoki, J. Chem. Phys., 126, 215104 (2007). - DNA 塩基対ミスマッチ
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Y. Orimoto, R. Yamamoto, P. Xie, K. Liu, A. Imamura, and Y. Aoki, Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystems, J. Chem. Phys., 142, 104111 (2015).