Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Ewa Lamparska"'
Publikováno v:
ChemPhysChem. 7(11):2366-2376
Raman and vibrational Raman optical activity (VROA) spectra of helical conformers of polypropylene chains are simulated using ab initio methods to unravel the relationships between the vibrational signatures and the primary and secondary structures o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c07111eff44f9d29e96da10af9416bc
https://researchportal.unamur.be/en/publications/a33baf4f-c9f2-47d4-a9a5-354019c40e1f
https://researchportal.unamur.be/en/publications/a33baf4f-c9f2-47d4-a9a5-354019c40e1f
Publikováno v:
The Journal of Physical Chemistry A. 110:2807-2815
The integral equation formulation of the polarizable continuum model (IEFPCM) has been extended to the calculation of solvent effects on vibrational Raman optical activity spectra. Gauge-origin independence of the differential scattering intensities
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8dac61ce3adda61b341f9ce614b38fe1
https://doi.org/10.1021/jp056443c
https://doi.org/10.1021/jp056443c
Publikováno v:
Journal of Physical Chemistry A; Mar2006, Vol. 110 Issue 8, p2807-2815, 9p