The Raman spectra (2000-10 cm-1) of chlorodiΓuoroacetyl Γuoride, in the liquid phase with qualit-CClF 2 CFO, ative depolarization ratios and the crystalline solid were recorded. The infrared spectra (2000-30 cm-1) of the vapor and solid phases were also obtained and additional spectra of the sample
Vibrational assignments and electronic structure calculations for 6-thioguanine
β Scribed by S. Gunasekaran; S. Kumaresan; R. Arunbalaji; G. Anand; S. Seshadri; S. Muthu
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 256 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0377-0486
- DOI
- 10.1002/jrs.2318
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A frozen density matrix approach for determining local geometry changes of large molecules is proposed based on the density matrix divide-and-conquer method. This approach divides a large molecule into a small active part and the rest as Ε½ . the frozen part. After a single-point self-consistent fiel
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The pairs of radial functions P i and Q i , which are part of the four-component single-particle spinors in the relativistic description of the electronic structure of bound states of atoms, are usually determined as solutions of eigenvalue problems. The latter constitute two-point boundary value pr
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