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- W1877443591 abstract "In this review we examine some of the quantum chemical methods that are used for the simulation of structures and spectra of inorganic compounds, especially density functional theory (DFT). Applications of these methods reported in inorganic spectroscopic studies are tabulated for the period 2003 to early 2008. A small number of these studies, selected for their relevance to topics of contemporary importance, are reviewed in detail." @default.
- W1877443591 created "2016-06-24" @default.
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- W1877443591 date "2009-09-25" @default.
- W1877443591 modified "2023-09-27" @default.
- W1877443591 title "Simulation of spectroscopic properties of inorganic compounds using modern modelling procedures" @default.
- W1877443591 doi "https://doi.org/10.1039/b714998k" @default.
- W1877443591 hasPublicationYear "2009" @default.
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