Grand Canonical Monte Carlo Simulations Guided by an Analytic Equation of State - Transferable Anisotropic Mie Potentials for Ethers

Journal of Physical Chemistry B

Volumn 119, Issue 23, 2015, Pages 7087-7099

  Hemmen, Andrea ^a   Panagiotopoulos, Athanassios Z ^b   Gross, Joachim ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

^b Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; BINARY MIXTURES; CHEMICAL ANALYSIS; CONSTRAINED OPTIMIZATION; EQUATIONS OF STATE; ETHERS; INTELLIGENT SYSTEMS; MOLECULAR STRUCTURE; MOLECULES;

ANALYTIC EQUATION OF STATE; ANALYTICAL EQUATIONS; DEVELOP PARAMETERS; GRAND CANONICAL ENSEMBLE; GRAND CANONICAL MONTE CARLO SIMULATION; MOLECULAR SIMULATIONS; STATISTICAL UNCERTAINTY; TRANSITION MATRICES;

MONTE CARLO METHODS;

EID: 84935899344     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b01806     Document Type: Article

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