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- W3114271405 abstract "A criterion to establish the normal-to-local mode transition in the series of octahedral molecules SF6, WF6 and UF6 in terms of the suitability to estimate force constants in a local mode model is proposed. The analysis is accomplished by considering the stretching degrees of freedom in a polyad-conserving model where two types of local neighbour interactions are involved. The connection between the local and normal mode schemes leads to establish a quantitative locality degree involving both force and structure constants, providing the expected normal (SF6) → local (UF6) trend. This approach allows reliable force constants to be estimated in the framework of a polyad-conserving local scheme." @default.
- W3114271405 created "2021-01-05" @default.
- W3114271405 creator A5043212306 @default.
- W3114271405 creator A5055299972 @default.
- W3114271405 date "2020-12-29" @default.
- W3114271405 modified "2023-10-18" @default.
- W3114271405 title "Vibrational description of the stretching modes of octahedral molecules: a local-to-normal mode transition criterion" @default.
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- W3114271405 doi "https://doi.org/10.1080/00268976.2020.1865582" @default.
- W3114271405 hasPublicationYear "2020" @default.
- W3114271405 type Work @default.