Finding and improving bounds of real functions by thermodynamic arguments
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DOI: 10.1119/5.0121919
Abstract: The possibility of stating the second law of thermodynamics in terms of the increasing behaviour of a physical property establishes a connection between that branch of physics and the theory of algebraic inequalities. We use… read more here.
Keywords: bounds real; improving bounds; functions thermodynamic; physics ... See more keywords
Potential Functions and Thermodynamic Properties of UC, UN, and UH
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DOI: 10.1155/2020/7512737
Abstract: Potential energy surface scanning for UC, UN, and UH was performed by configuration interaction (CI), coupled cluster singles and doubles (CCSD) excitation, quadratic configuration interaction (QCISD (T)), and density functional theory PBE1 (DFT-PBE1) methods in… read more here.
Keywords: thermodynamic properties; qcisd; functions thermodynamic; anharmonic frequency ... See more keywords