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- W2137278545 abstract "The terahertz frequency spectrum of pentaerythritol tetranitrate (PETN) is calculated using Discover with the COMPASS force field, CASTEP and PWscf. The calculations are compared to each other and to terahertz spectra (0.3-3 THz) of crystalline PETN recorded at 4 K. A number of analysis methods are used to characterise the calculated normal modes." @default.
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- W2137278545 date "2010-01-26" @default.
- W2137278545 modified "2023-10-10" @default.
- W2137278545 title "Calculation and Measurement of Terahertz Active Normal Modes in Crystalline PETN" @default.
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- W2137278545 doi "https://doi.org/10.1002/cphc.200900548" @default.
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