1994
DOI: 10.1016/0301-0104(94)89016-1
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Molecular dynamics simulation of far infrared absorption in liquid OCS

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Cited by 13 publications
(5 citation statements)
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“…Investigation of dielectric properties of pure and mixture liquids in microwave and terahertz (THz) frequency range has been a central focus of recent studies. Such investigations provide valuable information on thermal relaxation processes of molecules and their intermolecular interactions, which then may be used for better characterization of solvent dynamics, charge transfer kinetics, water/ion/biologically relevant molecule interactions, , electrolytic solutions, and testing of models. The broader the bandwidth of the ultrafast THz pulses, the higher the number of relaxation process that can be monitored, resulting in more reliable data. Besides fundamental understanding of the complex interplay of intermolecular forces in the dynamics of solute and solvent molecules in a solution, a further analysis of the dielectric data also opens up new application areas such as fractional content determination as presented in this study for the determination of ethanol content in a commercially available petroleum product, gasoline.…”
Section: Introductionmentioning
confidence: 99%
“…Investigation of dielectric properties of pure and mixture liquids in microwave and terahertz (THz) frequency range has been a central focus of recent studies. Such investigations provide valuable information on thermal relaxation processes of molecules and their intermolecular interactions, which then may be used for better characterization of solvent dynamics, charge transfer kinetics, water/ion/biologically relevant molecule interactions, , electrolytic solutions, and testing of models. The broader the bandwidth of the ultrafast THz pulses, the higher the number of relaxation process that can be monitored, resulting in more reliable data. Besides fundamental understanding of the complex interplay of intermolecular forces in the dynamics of solute and solvent molecules in a solution, a further analysis of the dielectric data also opens up new application areas such as fractional content determination as presented in this study for the determination of ethanol content in a commercially available petroleum product, gasoline.…”
Section: Introductionmentioning
confidence: 99%
“…Finally, there has been much recent effort to describe liquids without the constraints imposed by analytical models by performing molecular dynamics (MD) simulations. The interaction potential is specified, and a variety of observables can be determined. These models have successfully described the measured Stokes shift in time-resolved fluorescence Stokes shift (TRFSS) experiments, for example .…”
Section: Introductionmentioning
confidence: 99%
“…[5][6][7][8] Due to the absence of sharp, readily assignable features in low-frequency spectra of liquids, computer simulations have proven to be of critical importance in interpreting spectra measured in this region. [9][10][11][12][13] Instantaneous normal mode ͑INM͒ methods 14,15 in particular provide a powerful and physically appealing approach to this task. A great advantage of the INM formalism is that its description of intermolecular dynamics in terms of collective normal modes, which can be analyzed or visualized by a variety of methods, can provide physical insight that is not readily available from time correlation functions averaged over the course of a long simulation.…”
Section: Introductionmentioning
confidence: 99%