Isotopic dipole moments in water clusters
作者： Josée R. Mohallem , Leonardo G. Diniz
DOI: 10.1002/QUA.22686
关键词:
摘要: Deuteration can break the symmetry of water clusters either by replacing a H atom with D in monomers or H2O D2O ones cluster, both. These procedures generates isotopic dipole moments cases regular are forbidden point-group (tetramer, cyclic hexamer, octamer) vanish because dynamic (trimer, pentamer). We report, for first time, calculations these small clusters. Though having magnitudes, they result large enough to be observable and made progressively crescent cluster size, specific configurations. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem,
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