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The total atomization energy and heat of formation of HCN(g)

โœ Scribed by Jan M.L. Martin


Book ID
107736663
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
255 KB
Volume
259
Category
Article
ISSN
0009-2614

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The geometry, vibrational frequencies, a
โœ Jan M.L. Martin; Peter R. Taylor ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 628 KB

The anharmonic part of a recently calculated ab initio quartic force field for ethylene has been combined with geometries and harmonic frequencies at higher levels of theory, including expansion to spdfg basis sets and inclusion of core correlation. Resulting fundamentals and ground-state rotational