Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field

Journal of Physical Chemistry B

Volumn 108, Issue 4, 2004, Pages 1255-1266

  Cygan, Randall T ^a   Liang, Jian Jie ^a,c   Kalinichev, Andrey G ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^c ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CHEMICAL RELAXATION; CLAY; HYDROXYLATION; INTERFACES (MATERIALS); NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SURFACE STRUCTURE;

HYDROXIDE; LENNARD-JONES FUNCTIONS; OXYHYDROXIDE;

MOLECULAR DYNAMICS;

EID: 0442326619     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0363287     Document Type: Article

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