Elongation法 生体分子(核酸)
DNA 非線形光学特性の最適化
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
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
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).
