Additivity of Absolute Entropies

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Title:Additivity of Absolute Entropies
Creators:
Černušák, Ivan
Gregurick, Susan K.
Roswell, Marjorie
Deakyne, Carol A.
Jenkins, H. Donald Brooke
Liebman, Joel F.
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 69, 1, pp. 213-230
Uncontrolled Keywords:Estimation, Entropy, Diatomics, Bond polarity, Thermodynamics, Pair additivity

Abstract

Symmetry number-corrected entropies for a series of inorganic diatomic molecules were analyzed. We have considered molecules XY (X, Y = H, F, Cl, Br, I, Li, Na, K, Rb, Cs, B and Al). Based on the assumption of elemental additivity, the prediction of known entropy data is quite satisfactory (except for H<sub>2</sub>) and provides fairly reasonable estimates for data currently unavailable. <p>

Title:Additivity of Absolute Entropies
Creators:
Černušák, Ivan
Gregurick, Susan K.
Roswell, Marjorie
Deakyne, Carol A.
Jenkins, H. Donald Brooke
Liebman, Joel F.
Uncontrolled Keywords:Estimation, Entropy, Diatomics, Bond polarity, Thermodynamics, Pair additivity
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:69
Number:1
Page Range:pp. 213-230
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20040213UNSPECIFIED
ID Code:2204
Item Type:Article
Deposited On:06 Feb 2009 17:16
Last Modified:06 Feb 2009 16:16

Citation

Černušák, Ivan; Gregurick, Susan K.; Roswell, Marjorie; Deakyne, Carol A.; Jenkins, H. Donald Brooke; Liebman, Joel F. (2004) Additivity of Absolute Entropies. Collection of Czechoslovak Chemical Communications, 69 (1). pp. 213-230. ISSN 0010-0765

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