๐”– Bobbio Scriptorium
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Comparison with experiment for TVD calculations of blast waves from a shock tube

โœ Scribed by Charlie H. Cooke; Kevin S. Fansler


Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
655 KB
Volume
9
Category
Article
ISSN
0271-2091

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Theoretical kinetic isotope effects for
โœ Jeffrey P. Jones; Jeffrey L. Urbauer ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 829 KB

Heavy atom and deuterium isotope effects for the hydride transfer from formate to carbon dioxide were determined using MNDO, AMl, and PM3 semiempirical methods and the ab initio RHF/3-21G\*, 3-21 + G , 6-31G\*, and 6-31 + G\* basis sets. Frequencies were also determined for ground state structures u