LTE‐Advanced and Next Generation Wireless Networks 2012
DOI: 10.1002/9781118410998.ch5
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“…For the temperature jump experiments, we assume a bivariate normal distribution of activation barriers for the “forward reactions”, , that is proportional to where is the correlation of Δ G f,1 i and Δ G f,2 i for each individual configuration, i , with a total of n = 1000 configurations randomly sampled. In the limit of perfect correlation (i.e., ρ = 1), the bivariate normal distribution reduces to a univariate distribution constrained to the diagonal of the marginal distribution functions by Dirac’s δ-function . The RDW model has just four adjustable parameters for the temperature jump experiments, Δ G f,1 , σ 1 , Δ G f,2 , and σ 2 , which describe the means and standard deviations of the binormal distribution for T 1 and T 2 .…”
Section: Experimental Methodsmentioning
confidence: 99%
“…For the temperature jump experiments, we assume a bivariate normal distribution of activation barriers for the “forward reactions”, , that is proportional to where is the correlation of Δ G f,1 i and Δ G f,2 i for each individual configuration, i , with a total of n = 1000 configurations randomly sampled. In the limit of perfect correlation (i.e., ρ = 1), the bivariate normal distribution reduces to a univariate distribution constrained to the diagonal of the marginal distribution functions by Dirac’s δ-function . The RDW model has just four adjustable parameters for the temperature jump experiments, Δ G f,1 , σ 1 , Δ G f,2 , and σ 2 , which describe the means and standard deviations of the binormal distribution for T 1 and T 2 .…”
Section: Experimental Methodsmentioning
confidence: 99%