Entropy/information indices of the ?stockholder? atoms-in-molecules

2004 ◽  
Vol 101 (4) ◽  
pp. 349-362 ◽  
Author(s):  
Roman F. Nalewajski ◽  
El?bieta Broniatowska
Keyword(s):  
Atoms In Molecules ◽  
Entropy Information ◽  
Information Indices ◽  
Stockholder Atoms

Entropy/Information Indices of Molecular Fragments

2006 ◽  
pp. 244-292
Author(s):  
Roman F. Nalewajski
Keyword(s):  
Molecular Fragments ◽  
Entropy Information ◽  
Information Indices

Shannon’s, Mutual, Conditional and Joint Entropy Information Indices: Generalization of Global Indices Defined from Local Vertex Invariants

2013 ◽  
Vol 9 (2) ◽  
pp. 164-183 ◽  
Author(s):  
Stephen Barigye ◽  
Yovani Marrero-Ponce ◽  
Oscar Santiago ◽  
Yoan Lopez ◽  
Facundo Perez-Gimenez ◽  
...  
Keyword(s):  
Joint Entropy ◽  
Global Indices ◽  
Entropy Information ◽  
Information Indices ◽  
Local Vertex

Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes

2009 ◽  
Vol 11 (18) ◽  
pp. 3424 ◽  
Author(s):  
Patrick Bultinck ◽  
David L. Cooper ◽  
Dimitri Van Neck
Keyword(s):  
Atoms In Molecules ◽  
Stockholder Atoms

scholarly journals Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

2016 ◽  
Vol 12 (8) ◽  
pp. 3894-3912 ◽  
Author(s):  
Toon Verstraelen ◽  
Steven Vandenbrande ◽  
Farnaz Heidar-Zadeh ◽  
Louis Vanduyfhuys ◽  
Veronique Van Speybroeck ◽  
...  
Keyword(s):  
Force Field ◽  
Atoms In Molecules ◽  
Minimal Basis ◽  
Field Development ◽  
Force Field Development ◽  
Stockholder Atoms

Experimental electron density distribution in actinide compounds - an experimental atoms in molecules (AIM) approach

2019 ◽  
Author(s):  
A. Alan Pinkerton ◽  
Vladimir V. Zhurov ◽  
Christopher G. Gianopoulos
Keyword(s):  
Density Distribution ◽  
Electron Density ◽  
Electron Density Distribution ◽  
Atoms In Molecules ◽  
Experimental Electron Density

Multiscale Mapping of AIDS in U.S. Countries vs Anti-HIV Drugs Activity with Complex Networks and Information Indices

2015 ◽  
Vol 10 (5) ◽  
pp. 639-657 ◽  
Author(s):  
Diana Maria Herrera-Ibata ◽  
Ricardo Alfredo Orbegozo-Medina ◽  
Humberto Gonzalez-Diaz
Keyword(s):  
Complex Networks ◽  
Information Indices ◽  
Hiv Drugs ◽  
Anti Hiv

scholarly journals Entropy, Information, and Symmetry: Ordered is Symmetrical

Entropy ◽  
2019 ◽  
Vol 22 (1) ◽  
pp. 11 ◽  
Author(s):  
Edward Bormashenko
Keyword(s):  
Binary System ◽  
Physical System ◽  
Quantitative Measure ◽  
2D Systems ◽  
Two Dimensional ◽  
One Dimensional ◽  
Entropy Information

Entropy is usually understood as the quantitative measure of “chaos” or “disorder”. However, the notions of “chaos” and “disorder” are definitely obscure. This leads to numerous misinterpretations of entropy. We propose to see the disorder as an absence of symmetry and to identify “ordering” with symmetrizing of a physical system; in other words, introducing the elements of symmetry into an initially disordered physical system. We demonstrate with the binary system of elementary magnets that introducing elements of symmetry necessarily diminishes its entropy. This is true for one-dimensional (1D) and two-dimensional (2D) systems of elementary magnets. Imposing symmetry does not influence the Landauer principle valid for the addressed systems. Imposing the symmetry restrictions onto the system built of particles contained within the chamber divided by the permeable partition also diminishes its entropy.

Quantum Theory of Atoms in Molecules Analysis on the Conformational Preferences of Vinyl Alcohol and Related Ethers

2005 ◽  
Vol 109 (31) ◽  
pp. 6985-6989 ◽  
Author(s):  
Antonio Vila ◽  
Ricardo A. Mosquera
Keyword(s):  
Quantum Theory ◽  
Vinyl Alcohol ◽  
Atoms In Molecules ◽  
Conformational Preferences
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