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• W2066432003 abstract "A global nature of the potential energy surface (PES) of water clusters, (H2O)20 and (H2O)64 was investigated by using a reaction coordinate analysis and an annealing method. It was shown for (H2O)64 that the successive reaction coordinates passing through low energy barriers lead to a deep minimum and the overall potential has so called a funnel structure, similar to PES of a protein folding. On the other hand, the smaller cluster (H2O)20 has the rugged PES of a ‘fragile’ type, resulting from distinct bond reordering." @default.
• W2066432003 created "2016-06-24" @default.
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• W2066432003 date "1998-06-01" @default.
• W2066432003 modified "2023-09-24" @default.
• W2066432003 title "Global potential energy surfaces of water clusters; reaction coordinate and annealing analyses" @default.
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• W2066432003 doi "https://doi.org/10.1016/s0167-7322(98)00070-1" @default.
• W2066432003 hasPublicationYear "1998" @default.
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