Problems in chemistry

Fuzzy logic and fuzzy set theory are applied to various problems in chemistry. The applications range from component identification and spectral Hbrary search to fuzzy pattern recognition or calibrations of analytical methods. 

Most problems in chemistry [all, according to Dirac (1929)] could be solved if we had a general method of obtaining exact solutions of the Schroedinger equation... 

Into the late 1940s, Nobel Laureate Robert S. Mulliken, a physical chemist at the University of Chicago, maintained a skeptical view regarding the future of applying the theories of physics to solving practical problems in chemistry (4,5). Subsequentiy, Mulliken (5) related that... 

The writing of this book was undertaken because it was intended to be the first work that solely focuses on chemistry, and what appropriate metrics for Green Chemistry might be. We hope the book provides an up-to-date and authoritative text on the current development of environmental concepts in chemical technologies from clean and green to sustainable development. We also think it provides up-to-date information on the problems of metrics fundamental aspects of metrics, practical realisations and real-world case study examples. The concepts and approaches of metrics are related to the fundamental problems in chemistry and the main focus is on the use of metrics to promote the development and implementation of green chemistry and technology solutions. 

The historical development and elementary operating principles of lasers are briefly summarized. An overview of the characteristics and capabilities of various lasers is provided. Selected applications of lasers to spectroscopic and dynamical problems in chemistry, as well as the role of lasers as effectors of chemical reactivity, are discussed. Studies from these laboratories concerning time-resolved resonance Raman spectroscopy of electronically excited states of metal polypyridine complexes are presented, exemplifying applications of modern laser techniques to problems in inorganic chemistry. 

As mentioned in Sections 1 and 3, one of the most important problems in the study of the Wittig reaction mechanism is the determination of the relative stability of betaines with the open structure and cyclic oxapho-sphetanes as intermediates. The solution to a similar problem in chemistry... 

The first application of quantum theory to a problem in chemistry was to account for the emission spectrum of hydrogen and at the same time explain the stability of the nuclear atom, which seemed to require accelerated electrons in orbital motion. This planetary model is rendered unstable by continuous radiation of energy. The Bohr postulate that electronic angular momentum should be quantized in order to stabilize unique orbits solved both problems in principle. The Bohr condition requires that... 

The Hartree-Fock (HF) and local density functional theory (local DFT) methods provide a first level of accurate quantitative approach to a number of problems in chemistry. Unfortunately, this is seldom the case in... 

Defining exactly which applications constitute AI is difficult in any field. The problem in chemistry is even worse because chemical applications that use AI methods often use numerical calculations. Some applications that are strictly numerical accomplish tasks similar to AI programs. The key feature used to limit the scope of this book was symbolic processing. The work presented includes expert systems, natural language applications, and manipulation of chemical structures. 

Mingos, D.M.P. and Baghurst, D.R. (1991) Applications of microwave dielectric heating eflFects to synthetic problems in chemistry. Chem. Soc. Rev., 20, 1-47. 

Since DFT calculations take much less time to perform than CCSD(T) calculations, DFT calculations can be carried out on much larger molecules than CCSD(T) calculations. In addition, with the same amount of computer resources, many more problems in chemistry can be addressed by DFT calculations than by CCSD(T) calculations. 

The approach in this book will be that of a tutorial providing an aid to the novice to enter the area that will include both new and senior scientists. Therefore, it is not expected to give a complete coverage of the literature in the area. Also time sets the limit and we had to stop on the middle of 2007. We do not expect that ILs will solve every problem in chemistry (in our case analytical chemistry), but our hope is to help find a proper area where the use of these materials could be the most advantageous. Thus, for ILs the future is bright and the future has to be green. 

Wold, S., Martens, H., Wold, H. The multivariate calibration problem in chemistry solved by the PLS method. Lecture notes in mathematics . Springer Verlag, Heidelberg, in press... 

The theory of resonance has been applied to many problems in chemistry. In addition to its use in the discussion of the normal covalent bond (involving the interchange of two electrons, with opposed spins, between two atoms) and to the structure of molecules for which a single valence-bond structure does not provide a satisfactory description, it has rendered service to chemistry by leading to the discovery of several... 

This paper discusses the use of computers to solve nonnumeric problems in chemistry. I shall focus on a particular problem, that of identifying chemical structure, and examine computer methods for solving it. The discussion will include... 

The variety of problems in chemistry, classical physics, nuclear physics, and cosmology to which Ya.B. has made fundamental contributions is so great that it is hard to believe that it has all been done by a single person. 

Apart from the theory of combustion, the concept of self-sustaining waves (now sometimes called autowaves), developed in works by A. N. Kolmogorov, I. G. Petrovskii, N. S. Piskunov,2 R. Fisher3 and the present paper, has proved to be extraordinarily fruitful for many problems in chemistry and biophysics. Some of these applications may be found in the review by V. A. Vasiliev et al Let us note waves of a fundamentally new type spiral, self-sustaining vortex formations,... 

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