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Steric effects on the dynamical behaviour and 13C nuclear spin relaxation in flexible chain molecules

✍ Scribed by Tamio Yasukawa; Claude Chachaty


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
309 KB
Volume
43
Category
Article
ISSN
0009-2614

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✦ Synopsis


Stcric effects on the dynamical bchav~our and s3C nuclear spin relzxxatron m flexibIe &am molccuks have been exunincd by sunulating the random motions of n-hexyhunmc coordinated to Gd(FOD)3 with several mod& by ihe hfonte Carlo tcchniquc. 111~ spcctrdl density functions were calculated for the rcspcctive c;ubons of the hcxyl group and powr densities at the Larmor frcqucncy wcrc compared with cxpcrimcntal values of TIM. Simulation models where the pcntane effect is taken into considcr~tioo~ gave satkfactory results


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