The it.xM singk-crystaf magnetic circul-JS dichroisn spectra of Cs$M3&Yo2\* and Cs~ZnBr&oZ+ have been measured over the 400~-700~ cm-' region of t&e 4Aa -' Tt <I?) transition at ambient and liquid-helium temperature. The f?/D and C/D terms obtained give transition moment ratios, (t~llmIlt~)/~eilmIIt
Ligand Dynamics in Myoglobin: Calculation of Infrared Spectra for Photodissociated NO
β Scribed by David R. Nutt; Markus Meuwly
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 312 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The infrared and Raman spectra of ice IX, in the translational mode region, are calculated by molecular dynamics assuming an interaction-induced dipole mechanism and using a simple point-charge effective pair potential for the intermolecular interactions. The results indicate that the dipole-induced
## Abstract **Symbiosis:** Farβinfrared spectra can be used to check the quality of force fields for molecular dynamics simulations of ionic liquids. On the other hand, MD simulations can explain the molecular basis of measured properties for this new liquid material (see picture).magnified image
The absolute infrared infensities of the O-I, O-2 and 1-2 vibration-rotation bands in the ' Z'gound state have been calculated from fust principles. The dipole moment function for NO+wns determined in the region of the equilibrium internuclmr separation by an accurate multi-configuration self-consis
The electronic (350-900 nm), infrared and Raman (700-30 cm-1) spectra of polycrystalline samples of the mixedvalence (Ce3'/Ce4') oxysulΓde compound were investigated. The compound is a low-gap semiconductor Ce 4 O 4 S 3 with intervalence transitions in the near-infrared (ca. 850 nm) and visible (ca.