Molecular dynamics simulation of liquid H2O, MeOH, EtOH, Si(OMe)4, and Si(OEt)4, as a function of temperature and pressure

Journal of Physical Chemistry A

Volumn 105, Issue 10, 2001, Pages 1909-1925

  Pereira, J C G ^a,b,c   Catlow, C R A ^a   Price, G D ^b  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c INSTITUTO SUPERIOR TÉCNICO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

SILICA ALKOXIDES;

ALCOHOLS; COMPUTER SIMULATION; DIFFUSION IN LIQUIDS; HIGH PRESSURE EFFECTS; HIGH TEMPERATURE EFFECTS; SILICA; SOL-GELS; SOLUTIONS; THERMODYNAMICS; WATER;

MOLECULAR DYNAMICS;

EID: 0035868384     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0018201     Document Type: Article

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