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T. Suzuki, H. Kawashima, T. Sota, "Conformational properties of and a reorientation triggered by suger-water vibrational resonance in the hydroxymethyl group in hydrated beta-glucopyranose," J. Phys. Chem. B 110 (2006) 2405-2418. これは面白い論文。CPMD をやりながら、時系列解析も同時にやるとは。