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The geometry and inversion-internal rotation potential function of methylamine

✍ Scribed by Marek Kręglewski


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
896 KB
Volume
133
Category
Article
ISSN
0022-2852

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The geometry of acryloyl fluoride was optimized completely at the RHF/6-31G\* level of theory at 10 points on the theoretical potential energy curve for internal rotation. The energies obtained were used to determine a six term cosine expansion of the torsional potential energy function. This functi