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A calculation of nonlocal phonon heat transfer

โœ Scribed by T.E. Wilson; W.L. Schaich

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
221 KB
Volume
50
Category
Article
ISSN
0038-1098

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๐Ÿ“œ SIMILAR VOLUMES

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Nonlocal density functional calculation
Nonlocal density functional calculation of gas phase heats of formation
โœ Dariush Habibollahzadeh; M. Edward Grice; Monica C. Concha; Jane S. Murray; Pete ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 304 KB

A general procedure is presented for computing the gas phase heats of formation of a wide variety of organic compounds. A E for the formation of the molecule from its elements at 0 K is obtained from density functional calculations (Gaussian 92/DFT) for optimized geometries. This result is converted