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• W1998638093 abstract "Abstract Deuteration can break the symmetry of water clusters either by replacing a H atom with a D atom in monomers or by replacing H 2 O monomers with D 2 O ones in a cluster, or by both. These procedures generates isotopic dipole moments in cases the regular ones are forbidden by point‐group symmetry (tetramer, cyclic hexamer, octamer) or vanish because of dynamic symmetry (trimer, pentamer). We report, for the first time, calculations of these dipole moments in small water clusters. Though having small magnitudes, they result large enough to be observable and can be made progressively large with crescent cluster size, for specific isotopic configurations. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010" @default.
• W1998638093 created "2016-06-24" @default.
• W1998638093 creator A5004749205 @default.
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• W1998638093 date "2010-10-06" @default.
• W1998638093 modified "2023-09-24" @default.
• W1998638093 title "Isotopic dipole moments in water clusters" @default.
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• W1998638093 doi "https://doi.org/10.1002/qua.22686" @default.
• W1998638093 hasPublicationYear "2010" @default.
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