Rotational diffusion tensors for non-spherical molecules
β Scribed by Donald C. Knauss; Glenn T. Evans; David M. Grant
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 484 KB
- Volume
- 71
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Tbc rotatlonal tifuslon tensors of cweral ngld molecules are determmed from the rotational fnctlon tensor. The molecular friction tensor IS modeled as a sum over the translational Stokes law fnctton coefficients of the constituent atoms of the molecule. Agreement of the theory w~tb expenmental rotatIonal tifusion constants and orlentattonal correlatton times Is surpramgly good.
π SIMILAR VOLUMES
Utilising the method we reported in ChemPhysChem 2011, 12, 757-760 in subsequent work led to the discovery of errors in some of the equations used and reported. This corrigendum corrects the affected equations, and reproduces key results (shown in Table 1 and Figure 1, which correspond to Table 1 an
## 2. Memory functions Let us consider a polar fiuid in equifibriom. where each molecule is isolated from the others <free ratation hypothesis). In this case. for ~nmctric role\_ the autocorrelation function OFT of rhe mokcilar dipole moment is well known I&9]. If motion is classically described,