Hydrogen-bonded complex of 2-biphenylmethanol molecules in solid state was optimized using the density functional method (B3LYP/6-31G\*). The structures, energies, dipole moments, polarizabilities, frequencies of the normal modes in the harmonic approximation (and in the anharmonic one for the free
✦ LIBER ✦
Structure and vibrational spectra of vinyl ether conformers. The comparison of B3LYP and MP2 predictions
✍ Scribed by Igor S. Ignatyev; Manuel Montejo; Tom Sundius; Francisco Partal Ureña; Juan Jesús López González
- Book ID
- 108088902
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 221 KB
- Volume
- 333
- Category
- Article
- ISSN
- 0301-0104
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