Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 18, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4895547
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Funding
- MEXT, Japan
- Grants-in-Aid for Scientific Research [25104003, 26288003, 25410001] Funding Source: KAKEN
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Surface-specific vibrational spectroscopic responses at isotope diluted ice and amorphous ice are investigated by molecular dynamics (MD) simulations combined with quantum mechanics/molecular mechanics calculations. The intense response specific to the ordinary crystal ice surface is predicted to be significantly suppressed in the isotopically diluted and amorphous ices, demonstrating the vibrational delocalization at the ordinary ice surface. The collective vibration at the ice surface is also analyzed with varying temperature by the MD simulation. (C) 2014 AIP Publishing LLC.
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