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• W1984945213 abstract "The efficiency of Basin Paving method [Phys. Rev. E 73 (2006) 015701(R)], a Monte Carlo based optimization algorithm, is investigated by applying it to (H2O)20 and (H2O)50. It is found that Basin Paving does a better sampling of low energy minima compared to the well known Basin Hopping method. The large number of minima obtained from this work is used to form a network of water cluster minima. From the properties of the network, it is found that (H2O)50 minima are more uniformly distributed in the conformational space than that of (H2O)20." @default.
• W1984945213 created "2016-06-24" @default.
• W1984945213 creator A5020955332 @default.
• W1984945213 date "2010-02-01" @default.
• W1984945213 modified "2023-09-27" @default.
• W1984945213 title "Efficient conformational sampling by Monte Carlo Basin Paving method: Distribution of minima on the energy surface of (H2O)20 and (H2O)50" @default.
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• W1984945213 doi "https://doi.org/10.1016/j.cplett.2010.01.030" @default.
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