A logarithmic informational temperature scale as a criterion to classify molecular systems-Reference-Cited by-同舟云学术

A logarithmic informational temperature scale as a criterion to classify molecular systems

Published:2017-03 Issue:02 Volume:16 Page:1750016
ISSN:0219-6336
Container-title:Journal of Theoretical and Computational Chemistry
language:en
Short-container-title:J. Theor. Comput. Chem.

Author:

Flores-Gallegos N.¹

Affiliation:

1. Benemérita Universidad de Guadalajara, Centro Universitario de los Valles, Carretera, Guadalajara - Ameca Km. 45.5, C.P. 46600, Ameca, Jalisco, México

Abstract

In this work, we applied a definition of informational energy and informational temperature using 1865 molecules and showed that such definitions can classify molecules with similar chemical properties such as hardness, softness and chemical potential.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications

Link

https://www.worldscientific.com/doi/pdf/10.1142/S021963361750016X

Reference50 articles.

1. Equilibrium Statistical Mechanics of Inhomogeneous Fluids

2. Thermal Properties of the Inhomogeneous Electron Gas

3. Renormalized density-functional theory of nonuniform superfluidHe4at zero temperature

4. Density-functional theory of simple classical fluids. I. Surfaces

5. The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluids

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