Applications in spectroscopy

There is an abundant literature covering the Pourier transform and its application in spectroscopy, several examples of which are listed here. 

Jansson PA, editor, 1984. Deconvolution with applications in spectroscopy. Orlando (FL) Academic Press. 

Deconvolution with applications in spectroscopy. Includes index. 

This pre-treatment method is also focused on applications in spectroscopy, although it can be applied elsewhere. Like the MSC method, the SNV method performs both an additive and a multiplicative adjustment. However, the correction factors are determined differently. For each sample s spectrum, the offset adjustment is simply the mean of the values over all of the variables, and the multiplicative adjustment is simply the standard deviation of the values over all of the variables ... 

P. A. Jansson (ed.), Deconvolution with Applications in Spectroscopy, Academic Press, Orlando, 1984. 

Such beams have many uses, including some important applications in spectroscopy. In particular, pressure broadening of spectral lines is removed in an effusive beam and, if observations are made perpendicular to the direction of the beam, Doppler broadening is considerably reduced because the velocity component in the direction of observation is very small. 

Lepetit L, Cheriaux G, Jofffe M (1995) Linear techniques of phase measurement by femtosecond spectral interferometry for applications in spectroscopy. J Opt Soc Am B 12 2467-2474... 

Most applications in spectroscopy and photochemistry has therefore used a simplified approach. A state average calculation is performed where the same set of MOs is used for a number of electronic states of the same spin and symmetry. Thus, the Cl problem is solved for a number of roots (say M) and the orbitals are optimized for the average energy, Eaver of these states ... 

These devices are based on the anisotropic absorption of light. Usually molecular crystals exhibit this property and tourmaline is the classical example for this. For practical purposes, however, micro crystals are oriented in polymer sheets. Polymers containing chromophors become after stretching dichroic polarizers. The devices produced in this manner are called polawids. They have found a broad application in many technologies. Their application in spectroscopy is limited to the near ultraviolet and to the visible and near infrared range of the spectrum. In vibrational spectroscopy polaroids are employed as analyzers only for Raman spectroscopy. 

For all applications in spectroscopy it is necessary to adapt the optical conductance of the fiber to the other elements of the instrument. Laser radiation can be transported easily by one fiber, but its connection to a spectrometer principally needs a bundle of fibers, because spectrometers have an optical conductance which usually exceeds that of one fiber. Besides, irradiation of the entrance slit of a grating spectrometer requires the fibers to be arranged in a row, while an interferometer requires a circular arrangement at an image of the Jacquinot stop. The optical conductance of one fiber may be approximated by... 

Let us assume for the moment that we can measure the instrument response function r by itself. We certainly can measure the signal s. We then take their Fourier transforms, which yields R and S. Equation (7.6-2) now allows us to calculate Q simply as Q S / R. From there it is only an inverse Fourier transformation to calculate q, the quantity of interest, corrected for distortion This process is called deconvolution. The same macro that can perform a convolution can also do the deconvolution. The relevance of deconvolution to spectrometry is illustrated inW. E. Blass and G. W. Halsey, Deconvolution of Absorption Spectra, Academic Press 1981, and P. A. Jansson, Deconvolution with Applications in Spectroscopy, Academic Press 1984. 

Leurgans SE, Ross RT, Multilinear models applications in spectroscopy, Statistical Science, 1992,7, 289-319. 

Tu XM, Burdick DS, Resolution of bilinear mixtures Application in spectroscopy, Statistica Sinica, 1992, 2, 577-593. 

It is also often convenient to represent shapes in terms of their actual symmetry, expressed as the appropriate mathematical label - Td for tetrahedral, for square planar, and D2d for intermediate geometries in this case - as this defines the shape succinctly and is appropriate for application in spectroscopy. There are simple rules for deciding the symmetry of a complex, and these are described and exemplified in Appendix B. 

In conclusion, WT has been applied successfully for data processing in various fields of spectroscopic studies. We can see that more WT - related applications in spectroscopy will be developed in the near future when more spectroscopists become aware of the unusual properties of wavelets. Raman spectroscopy, electronic spectroscopy, rotational spectroscopy, and vibrational spectroscopy could be new areas to be explored and no application of WT has yet been reported in such areas. 

Applications of the complete active space (CAS) SCF method and multiconfigurational second-order perturbation theory (CASPT2) in electronic spectroscopy are reviewed. The CASSCF/CASPT2 method was developed five to seven years ago and the first applications in spectroscopy were performed in 1991. Since then, about 100 molecular systems have been studied. Most of the applications have been to organic molecules and to transition metal compounds. The overall accuracy of the approach is better than 0.3 eV for excitation energies except in a few cases, where the CASSCF reference function does not characterize the electronic state with sufficient accuracy. 

The present review is concerned with general aspects of applications of the CASSCF/CASPT2 method in molecular spectroscopy. We first introduce the reader to the method. This is brief we refer readers to the original papers and the thesis of Andersson [14] for details. The pitfalls of the method are discussed with special emphasis on the intruder-state problem. The applications in spectroscopy are divided into two parts. One deals with recent results obtained for organic systems and the other with transition metal compounds. For each of these types of application, we discuss the general requirements that have to be fulfilled to obtain... 

As a supplement to the more than 80 references given in the three parts an overwiew of books is presented here that are relevant to chemometrics [1] and its applications in spectroscopy. Two comprehensive standard books on chemometrics have been published by D. L. Massart et al. [2], and B. G. M. Vandeginste et al [3]. The predecessor of these books probably was the most used volume in chemometrics for many years [4]. Introductory and smaller books are from M.J. Adams (focus on analytical spectroscopy) [5], K. R. Beebe et al. (almost no mathematics) [6], R.G. Brereton [7], R. Kramer (focus on multivariate calibration) [8], and M. Otto [9]. The classical book on multivariate calibration in chemistry is from H. Mar-... 

ABSTRACT. Tunable coherent radiation in the ultraviolet and vacuum ultraviolet has been generated by stimulated Raman scattering, by anti-Stokes Raman lasers, and by frequency mixing processes in nonlinear media. The theory and experimental progress in the development of these laser-driven sources is reviewed, and examples of available systems and their characteristics are discussed. Various applications in spectroscopy of radiation tunable in the wavelength region 200-90 nm are presented. 

Stimulated Raman Scattering Harmonic Generation and Frequency Mixing Applications in Spectroscopy Conclusions... 

Laser-induced fluorescence (LIF) has a large range of applications in spectroscopy. First, LIF serves as a sensitive monitor for the absorption of laser photons in fluorescence excitation spectroscopy (Sect. 1.3.1). In this case, the undispersed total fluorescence from the excited level is generally monitored (see Sect. 1.3.1). 

On the other hand, those characteristics of the laser that are important for its applications in spectroscopy are treated in more detail. Examples are the frequency spectmm of different types of lasers, their linewidths, amplitude and frequency stability, tunability, and tuning ranges. The optical components such as mirrors, prisms, and gratings, and the experimental equipment of spectroscopy, for example, monochromators, interferometers, photon detectors, etc., are discussed extensively because detailed knowledge of modem spectroscopic equipment may be cmcial for the successfiil performance of an experiment. 

Jansson PA (ed.) (1984) Deconvolution With Applications in Spectroscopy. New York Academic Press. 

For many applications in spectroscopy the sensitive detection of light and the accurate measurement of its intensity are of crucial importance for the successful performance of an experiment. The selection of the proper detector for optimum sensitivity and accuracy for the detection of radiation must take into account the following characteristic properties, which may differ for the various detector types ... 

For applications in spectroscopy, the following characteristic properties of image intensifiers are important ... 

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