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- W2959863977 abstract "Condensed phase electron decomposition analysis based on density functional theory has recently revealed an asymmetry in the hydrogen-bond network in liquid water, in the sense that a significant population of water molecules are simultaneously donating and accepting one strong hydrogen-bond and another substantially weaker one. Here we investigate this asymmetry, as well as broader structural and energetic features of water's hydrogen-bond network, following the application of an intense electric field square pulse that invokes the ultrafast reorientation of water molecules. We find that the necessary field-strength required to invoke an ultrafast alignment in a picosecond time window is on the order of 108 Vm-1. The resulting orientational anisotropy imposes an experimentally measurable signature on the structure and dynamics of the hydrogen-bond network, including its asymmetry, which is strongly enhanced. The dependence of the molecular reorientation dynamics on the field-strength can be understood by relating the magnitude of the water dipole-field interaction to the rotational kinetic energy, as well as the hydrogen-bond energy." @default.
- W2959863977 created "2019-07-23" @default.
- W2959863977 creator A5048451033 @default.
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- W2959863977 date "2019-07-10" @default.
- W2959863977 modified "2023-10-13" @default.
- W2959863977 title "Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse" @default.
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- W2959863977 doi "https://doi.org/10.1038/s41598-019-46449-5" @default.
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