Search for Low Energy Structures of Water Clusters (H2O) n , n = 20−22, 48, 123, and 293
A search for low energy structures of water clusters was performed with a combination of three computational tools: (a) temperature-dependent classical trajectories; (b) hydrogen network improvement; (c) rigid body diffusion Monte Carlo calculation on a smoothed potential energy surface. For the si...
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| Veröffentlicht in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2003-11, Vol.107 (46), p.9762-9775 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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