Methodology microscope

Molecular dynamics simulation, which provides the methodology for detailed microscopical modeling on the atomic scale, is a powerful and widely used tool in chemistry, physics, and materials science. This technique is a scheme for the study of the natural time evolution of the system that allows prediction of the static and dynamic properties of substances directly from the underlying interactions between the molecules. 

The Gibbs Ensemble MC simulation methodology [17-19] enables direct simulations of phase equilibria in fluids. A schematic diagram of the technique is shown in Fig. 10.1. Let us consider a macroscopic system with two phases coexisting at equilibrium. Gibbs ensemble simulations are performed in two separate microscopic regions, each within periodic boundary conditions (denoted by the dashed lines in Fig. 10.1). The thermodynamic requirements for phase coexistence are that each... 

Chapter 8 written by Steve Vogel et al. also deals with sensitized emission based FRET methodology, but now using a spectral imaging detector device. Because a spectral detector and spectral unmixing software nowadays are standard options on the major commercial confocal microscopes, here a complete description is given how to quantify FRET from unmixed spectral components. 

Even the most cursory review of the past 50 years of research literature regarding plant organelles, cells, and tissues reveals that our current knowledge of their structure-function relationship has been dependent on advances in microscopic methodologies. Thus, the remainder of this... 

A PC interfaced with a microscope photometer provides a powerful analytical tool working down to cellular and subcellular levels (with polarized light). With the relatively low cost of modem PCs and the wide availability of surplus components for light microscopy, the methodology is available to anyone who can combine microscopy with computer... 

Emphasis has already been placed on the different experimental methodologies, for instance by Hume-Rothery et al. (1953) who stressed the need to use different complementary techniques in the definition of ternary or more complex systems. The necessity of combining thermal analysis with microscopic techniques was especially highlighted, for example, in the determination of solid liquid equilibria. 

A proposal for the comprehensive study of chemical processes in a variety of important condensed-phase systems using modern theoretical methodology has been presented. The primary goals of the research are to provide microscopic information on the mechanisms and structural and dynamical properties of the chemical systems proposed for investigation, to test the applicability of modern ab initio molecular dynamics (MD) by comparison with experiment, and to develop and apply novel ab initio MD techniques in simulating complex chemical systems. The proposed research will contribute to the forefront of modern theoretical chemistry and address a number of important technological issues. The PI has carefully attempted to demonstrate his knowledge, ability, and resources to carry out the proposed research projects. 

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