Mode coupling theory for the rotational diffusion constant
β Scribed by T. Keyes; Branka M. Ladanyi
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 331 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Iicccivcd 25 hf.~rch 1977 A mode-couplmg theory is prcscntcd for Drot, the rotatIonal diffuusmn cocffiacnt. The tlwx~ry helps ckplnin the rok of hydrodynanuc thcorw of D,,t for ~mull molcculc~. A comparlcon of the theory wlth those of other authors ic pivcn. snd snme new expcrmwr ts .ITC wggc\tcd.
Theory
Recently [I-3]
, WC imvc developed a method for calculating time correlation functions of single particle dynamical variables. If ni is the varrablc of mterest, associatcd with the ith particle, we introduce the collective variable, Ak, iv *k =ig Aj TJ(&* rj) ,
π SIMILAR VOLUMES
Nuclear spin coupling constants are calculated using approximate SCF wavehmctions and a finite perturbation method. The results reproduce many of the experimental features and trends of coupIing constants for carbon and hydrogen. We are developing a simple theoretical method
PΓ―cosecond time dependent fluorescente depolarization has been used to measure the rotational diff=sion time of 3,3'iliethyloxadicarjocyanine iodide (DODCI) in solution at 293 K: the stable form of DODCI was shown to have a "coiled" form, the cis,&-1 ,%conformation, whereas the photoisomer formed bu