Encyclopedia

Jacobson CA, Hampel CA (eds) (1946-1959) Encyclopedia of chemical reactions. Reinhold, New York 

Chariot G (1957) L analyse qualitative et les reactions en solution. Masson, Paris Remy H (1956) Treatise on inorganic chemistry. Elsevier, Amsterdam 

Latimer WM, Hildebrand JH (1951) Reference book of inorganic chemistry, 3 edn. Macmillan, New York 

Feigl F, OesperRE (trans) (1940) Specific and special reactions. Elsevier, New York Mellor JW (ed) (1922-) Mellor s comprehensive treatise on inorganic and theoretical chemistry, and supplements. Longman, London 

Skoog DA, West DM, Holler FJ (1996) Fundamentals of analytical chemistry, 7 edn. Sarmders, Fort Worth 

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Mason, E. A., Spurling, T. H., The International Encyclopedia of Phys. Chem. and Chem. Phys., Topic 10, The Fluid State, Vol. 

P. Becher, ed.. Encyclopedia of Emulsion Technology, Marcel Dekker, New York, 1983. J. J. Bikerman, Foams, Springer-Verlag, New York, 1973. 

W. C. Griffin, in Kirk-Othner Encyclopedia of Chemical Technology, 3rd ed., Vol. 8, M. Grayson, ed., Wiley-Interscience, New York, 1979. 

The result is that, to a very good approxunation, as treated elsewhere in this Encyclopedia, the nuclei move in a mechanical potential created by the much more rapid motion of the electrons. The electron cloud itself is described by the quantum mechanical theory of electronic structure. Since the electronic and nuclear motion are approximately separable, the electron cloud can be described mathematically by the quantum mechanical theory of electronic structure, in a framework where the nuclei are fixed. The resulting Bom-Oppenlieimer potential energy surface (PES) created by the electrons is the mechanical potential in which the nuclei move. Wlien we speak of the internal motion of molecules, we therefore mean essentially the motion of the nuclei, which contain most of the mass, on the molecular potential energy surface, with the electron cloud rapidly adjusting to the relatively slow nuclear motion. 

There can be subtle but important non-adiabatic effects [14, ll], due to the non-exactness of the separability of the nuclei and electrons. These are treated elsewhere in this Encyclopedia.) The potential fiinction V(R) is detennined by repeatedly solving the quantum mechanical electronic problem at different values of R. Physically, the variation of V(R) is due to the fact that the electronic cloud adjusts to different values of the intemuclear separation in a subtle interplay of mutual particle attractions and repulsions electron-electron repulsions, nuclear-nuclear repulsions and electron-nuclear attractions. 

Lemer R G and Trigg G L (eds) 1983 Concise Encyclopedia of Solid State Physics MA Addison-Wesley)... 

Because surface science employs a multitude of teclmiques, it is necessary that any worker in the field be acquainted with at least the basic principles underlying tlie most popular ones. These will be briefly described here. For a more detailed discussion of the physics underlymg the major surface analysis teclmiques, see the appropriate chapter m this encyclopedia, or [49]. 

Pratt L 1997 Molecular theory of hydrophobic effects Encyclopedia of Computational Chemistry... 

The importance of numerical treatments, however, caimot be overemphasized in this context. Over the decades enonnous progress has been made in the numerical treatment of differential equations of complex gas-phase reactions [8, 70, 71], Complex reaction systems can also be seen in the context of nonlinear and self-organizing reactions, which are separate subjects in this encyclopedia (see chapter A3,14. chapter C3.6). 

Quack M 1998 Multiphoton excitation Encyclopedia of Computational Chemistry vol 3, ed P v R Schleyer et al (New York Wiley) pp 1775-91... 

Note that chemists tend to refer to positive ions as cations (attracted to the cathode m electrolysis) and negative ions as anions (attracted to an anode). In this section of the encyclopedia, the temis positive ion and negative ion will be used for the sake of clarity. 

The fomiation of molecules was the first step toward local gravitational collapses which led to, among other things, the production of this encyclopedia. 

Progress in the theoretical description of reaction rates in solution of course correlates strongly with that in other theoretical disciplines, in particular those which have profited most from the enonnous advances in computing power such as quantum chemistry and equilibrium as well as non-equilibrium statistical mechanics of liquid solutions where Monte Carlo and molecular dynamics simulations in many cases have taken on the traditional role of experunents, as they allow the detailed investigation of the influence of intra- and intemiolecular potential parameters on the microscopic dynamics not accessible to measurements in the laboratory. No attempt, however, will be made here to address these areas in more than a cursory way, and the interested reader is referred to the corresponding chapters of the encyclopedia. 

Specific solute-solvent interactions involving the first solvation shell only can be treated in detail by discrete solvent models. The various approaches like point charge models, siipennoleciilar calculations, quantum theories of reactions in solution, and their implementations in Monte Carlo methods and molecular dynamics simulations like the Car-Parrinello method are discussed elsewhere in this encyclopedia. Here only some points will be briefly mentioned that seem of relevance for later sections. 

As these examples have demonstrated, in particular for fast reactions, chemical kinetics can only be appropriately described if one takes into account dynamic effects, though in practice it may prove extremely difficult to separate and identify different phenomena. It seems that more experiments under systematically controlled variation of solvent enviromnent parameters are needed, in conjunction with numerical simulations that as closely as possible mimic the experimental conditions to improve our understanding of condensed-phase reaction kmetics. The theoretical tools that are available to do so are covered in more depth in other chapters of this encyclopedia and also in comprehensive reviews [6, 118. 119],... 

Quack M and Troe J 1998 Statistical adiabatic channel model Encyclopedia of Computational Chemistry vo 4, ed P von Rague Schleyer et a/(New York Wiley) pp 2708-26... 

Many of the most interesting current developments in electronic spectroscopy are addressed in special chapters of their own in this encyclopedia. The reader is referred especially to sections B2.1 on ultrafast spectroscopy. Cl.5 on single molecule spectroscopy, C3.2 on electron transfer, and C3.3 on energy transfer. Additional topics on electronic spectroscopy will also be found in many other chapters. 

Time-of-flight mass spectrometers have been used as detectors in a wider variety of experiments tlian any other mass spectrometer. This is especially true of spectroscopic applications, many of which are discussed in this encyclopedia. Unlike the other instruments described in this chapter, the TOP mass spectrometer is usually used for one purpose, to acquire the mass spectrum of a compound. They caimot generally be used for the kinds of ion-molecule chemistry discussed in this chapter, or structural characterization experiments such as collision-induced dissociation. Plowever, they are easily used as detectors for spectroscopic applications such as multi-photoionization (for the spectroscopy of molecular excited states) [38], zero kinetic energy electron spectroscopy [39] (ZEKE, for the precise measurement of ionization energies) and comcidence measurements (such as photoelectron-photoion coincidence spectroscopy [40] for the measurement of ion fragmentation breakdown diagrams). 

Harris R K 1996 Nuclear spin properties and notation Encyclopedia of NMRvo 5, ed D M Grant and R K Harris (Chichester Wiley) pp 3301-14... 

Figure Bl.13.7. Simulated NOESY peak intensities in a homoniielear two-spin system as a fiinetion of the mixing time for two different motional regimes. (Reprodiieed by pennission of Wiley from Neiihaiis D 1996 Encyclopedia of Nuclear Magnetic Resonance ed D M Grant and R K Harris (Chiehester Wiley) pp 3290-301.)...

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