Ab initio solid-state heats of formation of molecular salts from ion packing and crystal modelling: Application to ammonium crystals

Molecular Physics

Volumn 102, Issue 3 PART II, 2004, Pages 253-258

  Beaucamp, Sylvain ^a   Bernand Mantel, Anne ^a   Mathieu, Didier ^a   Agafonov, Viatcheslav ^b  

^a CEA LE RIPAULT   (France)

^b UNIVERSITÉ DE TOURS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM COMPOUNDS; ANODIC POLARIZATION; CRYSTAL STRUCTURE; DATABASE SYSTEMS; DEGREES OF FREEDOM (MECHANICS); ENTHALPY; MEASUREMENT ERRORS; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; SALTS; SAMPLING; VAN DER WAALS FORCES;

AMMONIUM CRYSTALS; COHESIVE ENERGY; CRYSTAL MODELING; CRYSTAL PACKING; HEAT OF FORMATIONS; ION PACKING;

MOLECULAR CRYSTALS;

EID: 3042843885     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001668499     Document Type: Article

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