Molecular dynamics of liquid

Cong P, Simon J D and Yan Y 1995 Probing the molecular dynamics of liquids and solutions Ultrafast Processes in Chemistry and Photobiology ed M A El-Sayed, I Tanaka and Y Molln (Oxford Blackwell) pp 53-82... 

R. W. Pastor. Techniques and applications of Langevin dynamics simulations. In G. R. Luckhurst and C. A. Veracini, editors. The Molecular Dynamics of Liquid Crystals, pages 85-138. Kluwer Academic, Dordrecht, The Netherlands, 1994. 

Ryckaert J-P and A Bellemans 1978. Molecular Dynamics of Liquid Alkanes, Faraday Discussions 20 95-10(... 

Zannoni C (1994) In Luckhurst GR, Veracini CA (eds) Molecular dynamics of liquid crystals, chap 2. Kluwer, Dordrecht... 

Schure, M.R., Molecular dynamics of liquid chromatography chain and solvent structure visuahzation, in Pesek, J.J., Leigh, l.E. (Eds.), Chemically Modified Surfaces. The Royal Society of Chemistry, Cambridge, 1994, p. 181. 

The advent of the FFC instruments has opened a number of important application areas (molecular dynamics of liquid crystals, paramagnetic contrast MRI agents, proteins, polymers, etc.) and has thus provided a powerful impulse for further development of variable-field NMR relaxometry. Since 1996, Stelar entered the field and, building on the Noack-Schweikert technology (67), started producing the first commercial FFC NMR relaxometers. The availability of such instruments has further enhanced the drive towards new applications, apart from confirming the enormous potential of the technique as a primary tool for the study of molecular dynamics of even quite complex systems. 

Biihl, M., Chaumont, A., Schurhammer, R., and Wipff, G., Ab Initio Molecular dynamics of liquid 1,3-dimethylimidazolium chloride, /. Phys. Chem. B, 109, 18591-18599,2005. 

Deuterium NMR (2H-NMR) is a powerful technique to obtain information on both the degree of order and the molecular dynamics of liquid crystalline media. It has extensively been used on model as well as natural membranes. Deuterium NMR has been used as a probe to investigate chain packing in lipid bilayers, and the effects of hydrocarbons and alcohols and their location in the membrane have been determined [123]. 

Ruhman S, Nelson KA. Temperature-dependent molecular dynamics of liquid carbon disulphide polarization-sensitive impulsive stimulated light-scattering data and Kubo line shape analysis. J Chem Phys 1991 94 859-867. 

Clarke gives a review on molecular dynamics of liquids and solids composed of short-chain molecules as possible models for polymers.In addition, he provides another review with a more applied flavor and with an emphasis on the prediction of the properties of the bulk.23 Because important industrial materials may contain liquid hydrocarbons, polymers, and/or micelles, this review is a welcome addition to the literature aiming at popularizing polymer modeling. 

G. R. Luckhurst, C. A. Veracini, NATO, The molecular dynamics of liquid crystals (Kluwer Academic Publishers, Dordrecht Boston, 1994). 

S. Sarman, Nonequilibrium Molecular Dynamics of Liquid Crystal Shear Flow, J. Chem. Phys. 103 (1995) 10378. 

K. Singer, J. V. L. Singer, and A. J, Taylor. Molecular dynamics of liquids modelled by 2-Lennard-Jones centres pair potentials II. Translational and rotational autocorrelation functions. Molec. Phys., 57 1239-1262 (1979). 

Electrons residing in molecular clusters can be viewed as microscopic probes of both the local liquid structure and the molecular dynamics of liquids, and as such their transitory existence becomes a theoretical and experimental metaphor for one of the major fundamental and contemporary problems in chemical and molecular physics, that is, how to describe the transition between the microscopic and macroscopic realms of physical laws in the condensed phase. Since this chapter was completed in the Spring of 1979, several new and important observations have been made on the dynamics and structure of e, which, as a fundamental particle interacting with atoms and molecules in a fundamental way, serves to assist that transformation for electronic states in disordered systems. In a sense, disorder has become order on the subpicosecond time-scale, as we study events whose time duration is shorter than, or comparable to, the period during which the atoms or molecules retain some memory of the initial quantum state, or of the velocity or phase space correlations of the microscopic system. This approach anticipated the new wave of theoretical and experimental interest in developing microscopic theories of... 

Ryckaert, J., BeUemans, A. Molecular dynamics of liquid n-butane near its botUng point. Chem. Phys. Lett. 30, 123-125 (1975). doi 10.1016/0009-2614(75)85513-8... 

Molecular Dynamics of Liquid-Crystalline Side-Group Polymers with Fluorine-Containii Azobenzene Chromophores... 

Rahman, A. Stillinger, F. H. (1971) Molecular Dynamics of Liquid Water, Journal of Chemical Physics 55, 3336-3359... 

Luckhurst, G.R. (ed) (1994) The Molecular Dynamics of Liquid Crystals (Dordrecht Kluwer Academic). 

Figure 6 Observed dipolar absorption spectra obtained by the THz technique of liquid benzene (circles), 1,3,5-trifluorobenzene (triangles), and hexafluorobenzene (cubes). OHD-RIKES spectra (broken lines) and the OHD-RIKES spectra in the R v) representation (full lines) [Eq. (1)] (see text). [The THz results for 1,3,5-trifluorobenzene, and hexafluorobenzene are reproduced with permission from SR Keiding. THz-Pulses. D.Sc. thesis. University of Aarhus, Denmark, 1998 THz data for benzene are shown with permission from C Rpnne, K Jensby, SR Keiding prior to publication. The OHD-RIKES data are from M Neelakandan, D Pant, EL Quitevis. Structure and inter-molecular dynamics of liquids Femtosecond optical Kerr effect measurements in nonpolar fluori-nated benzenes, J Phys Chem A 101 2943, 1997. Reproduced with permission from the American Chemical Society.]...

The Molecular Dynamics of Liquid Crystals. NATO ASI Series C Mathematical and Physical Sciences - Vol. 431 Kluwer Academic Publishers, Dordrecht, 1994. 

Fig. 4. Arrhenius plot of various correlation times, characterizing the molecular dynamics of liquid crystal polyester II. Full circles refer to intermolecular motion (reorientation of the long axis) and open squares denote intramolecular motion (trans-gauche isomerization of the first spacer segment). The dashed lines indicate phase transitions (melting point at T = 433 K, glass transition at 7 = 303 K).

Shirota, H. (2005). Ultrafast molecular dynamics of liquid aromatic molecules and the mixtures with CCI4, Journal of Chemical Physics, 122,044514/1-12 Shirota, H. Castner, E. W., Jr. (2005). Physical properties and intermolecular dynamics of an ionic liquid compared with its isoelectronic neutral binary solution. Journal of Physical Chemistry A, 109,9388-9392... 

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