๐”– Bobbio Scriptorium
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Molecular Structure, Vibrational Spectrum and Ionization Energy of m-Dimethoxybenzene

โœ Scribed by Jian-Han Huang; Ke-Long Huang; Su-Qin Liu; Qiong Luo


Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
69 KB
Volume
25
Category
Article
ISSN
0256-7660

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Molecular structure, vibrational frequen
โœ J.M. Ricart; J. Rubio; F. Illas ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 408 KB

The geometrical parameters for SnX, (X = Cl, Br, 1) and SnXl have been optimized at the SCF and CI levels using non-empirical pseudopotentials and a basis set of double-zeta plus polarization quality. For the neutral molecules the geometrical parameters are in agreement with the experimental values,