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Rotational and Translational Dynamics

Molecular orientations are completely specified by the Euler angles Q (= a,/3,7), which relate the laboratory fixed frame to a molecular fixed frame. Any orientational dependent quantity of a molecule can be expressed in terms of the Wigner rotation matrix elements As seen in the [Pg.175]


By using NFS, information on both rotational and translational dynamics can be extracted. In many cases, it would be favorable to obtain separate information about either rotational or translational mobility of the sensor molecule. In this respect, two other nuclear scattering techniques using synchrotron radiation are of advantage. Synchrotron radiation-based perturbed angular correlations (SRPAC) yields direct and quantitative evidence for rotational dynamics (see Sect. 9.8). NIS monitors the relative influence of intra- and inter-molecular forces via the vibrational density of states (DOS) which can be influenced by the onset of molecular rotation (see Sect. 9.9.5). [Pg.491]

Nuclear magnetic resonance provides means to study molecular dynamics in every state of matter. When going from solid state over liquids to gases, besides mole- cular reorientations, translational diffusion occurs as well. CD4 molecule inserted into a zeolite supercage provides a new specific model system for studies of rotational and translational dynamics by deuteron NMR. [Pg.169]

Georgiev, P. A., Ross, D. K., De Monte, A. et al. 2005. In situ inelastic neutron scattering studies of the rotational and translational dynamics of molecular hydrogen adsorbed in single-wall carbon nanotubes (SWNTs). Carbon AJ, 895-906. [Pg.488]

Molecular dynamics simulations were employed to explore the dynamic heterogeneity in water motion around a protein-DNA complex. The complex chosen was the DNA-binding domain of human TRFl protein and a telomeric DNA (see Figure 11.1). It was observed that the slow water dynamics correlated with the relaxation time of HBs of the water molecules connected with the protein and the DNA. The restricted motion of such water molecules led to sluggish rotational and translational dynamics of the hydration layer near the protein and DNA molecules in their complexed forms as well as in their free forms (see Figure 11.2). [Pg.170]

Level 3 The rotational and translational dynamics of the first link and the translational dynamics and kinematics of the second link in y-direction are removed. Furthermore, the translational kinematics of the point G in x-direction is reduced by neglecting the terms involving fS and its derivatives, i.e., the expression for vg in (2.22) reduces to... [Pg.85]

Level 2 The rotational and translational dynamics of the first link and the kinematics and dynamics of the second link in jc-direction are removed. [Pg.87]

In-depth treatments of the topic are available in several books [1-6] and in a large number of review articles. The monograph by Dong [6], for example, focuses on aspects like the dynamics of nuclear spins, orientational order, molecular field theories, nuclear spin relaxation theory, director fluctuation and spin relaxation, rotational and translational dynamics, internal dynamics of flexible mesogens, and multiple-quantum and two-dimensional NMR, topics that will be touched upon very briefly here. Re-... [Pg.627]

Many investigations on n-nonadecane using various techniques including H-NMR and INS, led to very contradictory results. However, rotational (about the main chain axis) as well as translational (in the chain axis direction) motions occurring on similar time scales were clearly evidenced for longer chain compounds. We have thus intended to clarify the situation by performing new experiments on semi-oriented samples in order to discriminate between the rotational and translational dynamics of n-nonadecane in the Ri phase. [Pg.69]


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Rotation dynamics

Rotational dynamics

Rotational-translational

Translation and

Translation and rotation

Translational and rotational dynamics of water

Translational and rotational dynamics of water molecules in the grooves

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