AIM concept

Similarly to classical hydrogen bonding, the nature of dihydrogen bonds can be represented clearly in the framework of the AIM concept [15], In the context... 

Although AILs (bond paths) in AIM theory often coincide with our basic understanding of what a chemical bond is, this is not always the case. There has been a lot of debate on this topic in the literature, with the main source of disagreement arising from insufficient distinction between the AIM concept and our... 

Although the field of gas-phase kinetics remains hill of challenges it has reached a certain degree of maturity. Many of the fiindamental concepts of kinetics, in general take a particularly clear and rigorous fonn in gas-phase kinetics. The relation between fiindamental quantum dynamical theory, empirical kinetic treatments, and experimental measurements, for example of combustion processes [72], is most clearly established in gas-phase kmetics. It is the aim of this article to review some of these most basic aspects. Details can be found in the sections on applications as well as in the literature cited. 

In this chapter we shall first outline the basic concepts of the various mechanisms for energy redistribution, followed by a very brief overview of collisional intennoleciilar energy transfer in chemical reaction systems. The main part of this chapter deals with true intramolecular energy transfer in polyatomic molecules, which is a topic of particular current importance. Stress is placed on basic ideas and concepts. It is not the aim of this chapter to review in detail the vast literature on this topic we refer to some of the key reviews and books [U, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, and 32] and the literature cited therein. These cover a variety of aspects of tire topic and fiirther, more detailed references will be given tliroiighoiit this review. We should mention here the energy transfer processes, which are of fiindamental importance but are beyond the scope of this review, such as electronic energy transfer by mechanisms of the Forster type [33, 34] and related processes. 

By its nature, the application of direct dynamics requires a detailed knowledge of both molecular dynamics and quantum chemistry. This chapter is aimed more at the quantum chemist who would like to use dynamical methods to expand the tools at theh disposal for the study of photochemistry, rather than at the dynamicist who would like to learn some quantum chemishy. It hies therefore to introduce the concepts and problems of dynamics simulations, shessing that one cannot strictly think of a molecule moving along a trajectory even though this is what is being calculated. 

The section on applications examines the same techniques from the standpoint of the type of chemical system. A number of techniques applicable to biomolecular work are mentioned, but not covered at the level of detail presented throughout the rest of the book. Likewise, we only provide an introduction to the techniques applicable to modeling polymers, liquids, and solids. Again, our aim was to not repeat in unnecessary detail information contained elsewhere in the book, but to only include the basic concepts needed for an understanding of the subjects involved. 

CLAIMS DIALOG, ORBIT Questel, STN IFI/Plenum Data Co. U.S. full bibliographic data abstract and full cl aim text chemical stmcture, general concept and patentee name coding... 

New units can be ordered having dry, low NO burners that can reduce NO emissions below 25 ppm on gaseous fuels in many cases, without back-end flue-gas cleanup or front-end controls, such as steam or water injection which can reduce efficiency. Similar in concept to low NO burners used in boilers, dry low NO gas turbine burners aim to reduce peak combustion temperatures through staged combustion and/or improved fuel—air mixing. 

D. V. Doane and J. S. Kirkaldy, Hardenability Concepts with Applications to Steel, TMS-AIME, Warrendale, Pa., 1978. 

Systems Approach Physical distribution is a term applied to a systems concept that comprises the entire spectrum of materials movement. The system begins with the storage and handling of raw materials and follows right on through the packaging and disposition of the finished product. The aim is the attainment of the lowest over-... 

The author is sure that the readers will find ample opportunity to learn from his experience and apply this information to their field of activities. The book aims to provide a bridge between the concept and the application. With this book by his or her side, an engineer should be able to apply better, design better and select better equipment for system needs and ambient conditions. It should prove to be a handy reference to all those in the field of design and application, protection and testing, production, project engineering, project implementation or maintenance, in addition to the sales and purchase of these products. 

Bayes s methods aim to satisfy two needs the concept of probability as degree of belief, and the need to use all available information in a probability cstimaie. Cia icists reject all... 

With this aim, Carnot proceeded to introduce the novel conception of a reversible cycle of operations, and arrived at the exceedingly important result that the motive power capacity for doing wrork] of heat is independent of the agents employed to develop it its quantity is determined solely by the temperatures of the bodies between which, in the final result [i.e., after the completion of the cycle], the transfer of heat occurs. Let there be given a source, and a refrigerator, at temperatures Ti, T2 respectively, where Tx > T2. In order that finite quantities of heat may be added to or taken from these without change of their temperatures, we may suppose them to consist of... 

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