A maximum entropy characterization of symmetric Kotz type and Burr multivariate distributions

Test ◽  
2004 ◽  
Vol 13 (1) ◽  
pp. 65-83 ◽  
Author(s):  
G. Aulogiaris ◽  
K. Zografos





1990 ◽  
Vol 13 (2) ◽  
pp. 357-361
Author(s):  
C. G. Chakrabarti ◽  
V. Mukhopadhyay

The paper aims to study the importance and equivalence of the principles of maximum-entropy, and sufficient and stable inferences in the statistical characterization of the thermal equilibrium of a closed system.



2008 ◽  
Vol 73A (5) ◽  
pp. 430-441 ◽  
Author(s):  
Wade T. Rogers ◽  
Allan R. Moser ◽  
Herbert A. Holyst ◽  
Andrew Bantly ◽  
Emile R. Mohler ◽  
...  




2009 ◽  
Vol 65 (5) ◽  
pp. 624-638 ◽  
Author(s):  
Jeanette Netzel ◽  
Sander van Smaalen

Charge densities have been determined by the Maximum Entropy Method (MEM) from the high-resolution, low-temperature (T ≃ 20 K) X-ray diffraction data of six different crystals of amino acids and peptides. A comparison of dynamic deformation densities of the MEM with static and dynamic deformation densities of multipole models shows that the MEM may lead to a better description of the electron density in hydrogen bonds in cases where the multipole model has been restricted to isotropic displacement parameters and low-order multipoles (l max = 1) for the H atoms. Topological properties at bond critical points (BCPs) are found to depend systematically on the bond length, but with different functions for covalent C—C, C—N and C—O bonds, and for hydrogen bonds together with covalent C—H and N—H bonds. Similar dependencies are known for AIM properties derived from static multipole densities. The ratio of potential and kinetic energy densities |V(BCP)|/G(BCP) is successfully used for a classification of hydrogen bonds according to their distance d(H...O) between the H atom and the acceptor atom. The classification based on MEM densities coincides with the usual classification of hydrogen bonds as strong, intermediate and weak [Jeffrey (1997). An Introduction to Hydrogen Bonding. Oxford University Press]. MEM and procrystal densities lead to similar values of the densities at the BCPs of hydrogen bonds, but differences are shown to prevail, such that it is found that only the true charge density, represented by MEM densities, the multipole model or some other method can lead to the correct characterization of chemical bonding. Our results do not confirm suggestions in the literature that the promolecule density might be sufficient for a characterization of hydrogen bonds.



2006 ◽  
Author(s):  
E. V. Vakarin ◽  
J. P. Badiali
Keyword(s):  


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