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[en] In this letter we document the possibility of the existence of a second molecular configuration for nitric acid trihydrates. Density functional theory (DFT) methods have been used for studying the nitric acid trihydrates α and β-NAT conformations, their spectroscopic and thermodynamics properties and dipole moments have been calculated. This study describes the gas-solid phase transition of the NAT and provides two possible pathways for the molecular structure transformation between α and β-NAT
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