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ChemInform Abstract: Fulvalenes, Fulvenes, and Related Molecules: An ab initio Study.

✍ Scribed by A. P. SCOTT; I. AGRANAT; P. U. BIEDERMANN; N. V. RIGGS; L. RADOM

Publisher
John Wiley and Sons
Year
2010
Weight
26 KB
Volume
28
Category
Article
ISSN
0931-7597

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The correlation between intramolecular bond length and vibrational Ε½ . frequency shifts was calculated at the MP4 aug-cc-PVTZ ab initio level for a number of Ε½ y y . molecules LiH, BH, HF, OH , HDO, BF, CN , and HCl exposed to uniform electric fields in the range from y0.10 to q0.10 au. The '' vs.