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[In this chapter, a theoretical study of the structural and vibrational properties of the chromyl chlorosulfate compound using density functional theory (DFT) methods is presented. The results show two stable molecules for the chlorosulfate in gas phase and an average of both structures probably...
[In this chapter we present a structural and vibrational study related to chromyl fluorosulfate. The compound was prepared and characterized by infrared spectroscopy. The density functional theory (DFT) has been used to study its structure and vibrational properties. The molecular structure of...
[The density functional theory (DFT) has been used to study the structural and vibrational properties of chromyl nitrate. The molecular structure of the compound has been theoretically determined in gas phase employing the B3LYP, B3P86, and B3PW91 levels of theory, and the harmonic vibrational...
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