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A density functional study of small AlxOy (x,y=1-4) clusters and their thermodynamic properties

✍ Scribed by A. B.C. Patzer; Ch. Chang; E. Sedlmayr; D. Sülzle

Book ID
111627681
Publisher
Springer
Year
2005
Tongue
English
Weight
435 KB
Volume
32
Category
Article
ISSN
1434-6060

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## Abstract The thermodynamic properties of 76 polychlorinated dihydrophezines (PCDPs) in the gaseous state at 298.15 K and 101.325 kPa, have been calculated using the density functional theory (the BHANDHLYP/6‐31G\*) with Gaussian 03 program. Based on these data, the isodesmic reactions were desig