Vibrational analysis of brucite surfaces and the development of an improved force field for molecular simulation of interfaces

Journal of Physical Chemistry C

Volumn 118, Issue 15, 2014, Pages 7946-7953

  Zeitler, Todd R ^a   Greathouse, Jeffery A ^a   Gale, Julian D ^b   Cygan, Randall T ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b CURTIN UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CLAY MINERALS; MINERALS;

BENDING MOTION; HARMONIC POTENTIAL; MAGNESIUM HYDROXIDE; MINERAL COMPONENT; MOLECULAR SIMULATIONS; NORMAL-MODE FREQUENCIES; SPRING CONSTANTS; VIBRATIONAL ANALYSIS;

MOLECULAR STRUCTURE;

EID: 84899007651     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp411092b     Document Type: Article

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