The anomalous solid state decomposition of ammonium dinitramide: a matter of surface polarization

• Polarized dinitramide anions on the surface of solid ammonium dinitramide (ADN) have a decomposition barrier that is reduced by 16 kcal mol(-1) and explain the anomalous solid state decomposition of ADN.

Ämnesord

NATURVETENSKAP  -- Kemi -- Materialkemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Materials Chemistry (hsv//eng)

NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

Nyckelord

quantum chemical calculations

density functional theory

energetic materials

rocket propulsion

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