Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 1. Theory and simple chemometric applications

2009 ◽  
Vol 648 (1) ◽  
pp. 45-51 ◽  
Author(s):  
R. Todeschini ◽  
D. Ballabio ◽  
V. Consonni ◽  
A. Manganaro ◽  
A. Mauri
Keyword(s):  
Canonical Measure

Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data

2009 ◽  
Vol 648 (1) ◽  
pp. 52-59 ◽  
Author(s):  
V. Consonni ◽  
D. Ballabio ◽  
A. Manganaro ◽  
A. Mauri ◽  
R. Todeschini
Keyword(s):  
Canonical Measure

scholarly journals Monte Carlo Calculation: Thermodynamic Functions in Zeolites. I. Theoretical Fundamentals

1986 ◽  
Vol 3 (3) ◽  
pp. 181-187 ◽  
Author(s):  
K. Fiedler ◽  
B. Grauert
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Monte Carlo Method ◽  
Thermodynamic Functions ◽  
Monte Carlo Calculation ◽  
Sampling Strategy ◽  
Canonical Measure

A Monte Carlo method for calculating thermodynamic functions of zeolitic adsoption systems is presented, which is different from the method of Metropolis et al. (1949; 1953). The method is based on emphasizing sampling strategy for representing the canonical measure by means of a trajectory averaging. The method allows the calculation of free energy, energy and other derived thermodynamic functions directly from the histogram as well as the calculation of the empirical dispersion and the bias.

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