✦ LIBER ✦

Hall model reaction surface for HCN

✍ Scribed by P. P. Schmidt

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 294 KB
Volume: 72
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1999)72:5<473::aid-qua1>3.0.co;2-3

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✦ Synopsis

An extended Hall function in exponential basis functions is fit to the w x accurate potential energy surface for HCN | CNH of Murrell et al. 3 and accounts for the linear initial and final states and for the triangular transition state. Reasonable values were also found for the molecular vibrational frequencies in the harmonic limit. ᮊ 1999

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