𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Vibrational spectra of 2-biphenylmethanol. Spectrum simulation and molecular structure

✍ Scribed by L. M. Babkov; J. Baran; N. A. Davydova; J. I. Kukielskii; S. V. Trukhachev


Publisher
SP MAIK Nauka/Interperiodica
Year
2004
Tongue
English
Weight
135 KB
Volume
45
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Modeling of the structure and vibrationa
✍ L.M. Babkov; J. Baran; N.A. Davydova; K.E. Uspenskiy πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 207 KB

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

The molecular structure and vibrational
✍ J.M. Granadino-RoldΓ‘n; M. FernΓ‘ndez-GΓ³mez; A. Navarro; U.A. Jayasooriya; R.G. Mo πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 354 KB

The molecular structure and vibrational spectrum of 4-chlorostyrene have been investigated by ab initio and DFT calculations combined with infrared/Raman and Inelastic Neutron Scattering (INS) spectroscopies. The molecular geometry has been optimized at different levels of theory, RHF, MP2, B3LYP an