Experimental and Theoretical Aspects

1 Experimental and Theoretical Aspects. - When NMR diffusion experi- 

1 Experimental and Theoretical Aspects. - Self-diffusion is one of the most fundamental motions of particles in liquids. NMR provides a convenient and noninvasive means of accurately measuring the self-diffusion coefficient of molecules in solution. Lin et al. gave the theoretical expressions of diffusion rates of multi-quantum coherences. 

Manz presented a fast method for quantitative imaging of T2 and diffusion. The pulse sequence combines multi-PGSE NMR with multi-echo acquisition and compensates for flow effects. 

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Gascoyne, P.R.C., Pethig, R. Experimental and theoretical aspects of hydration isotherms for biomolecules. J. Chem. Soc. Faradey Trans. 1 (1977) 171-180... 

The experimental and theoretical aspects of the radiation and self-induced conversion kinetics and equiUbria between the ortho and para forms of hydrogen, deuterium, and tritium have been correlated (17). In general, the radiation-induced transitions are faster than the self-induced transitions. 

The existence of a double layer determines the properties of many systems in electrochemistry, in colloidal sciences, in biology, etc. [1-4]. Owing to their importance, electrical double layers have long been and remain a subject of intense research on both experimental and theoretical aspects. This is covered by some recent textbooks and review articles [3,5-10]. 

Le Mest Y, Inisan C, Laouenan A, L Her M, Talarmin J, El Khalifa M, Saillard J-Y. 1997. Reactivity toward dioxygen of dicobalt face-to-face diporphyrins in aprotic media. Experimental and theoretical aspects. Possible mechanistic implication in the reduction of dioxygen. J Am Chem Soc 119 6095. 

Fig. 7.15 is constructed from reactivity diagrams of aromatic hydrocarbons already published. The reactivity of fluoranthene has often been investigated in detail from both, the experimental and theoretical aspects 116>. The values of /rE> calculated by the Pariser-Parr method (SCF) 117> as well as by the Hiickel MO (HMO) modified by considering... 

At the symposium on which this book is based, the various authors presented papers on the general topic of polymer adsorption and particle stabilization/destabilization. In this volume both aqueous and nonaqueous systems are included, comprising work on both natural and synthetic polymers. Together the chapters constitute a comprehensive update of research in progress on these topics and provide broad coverage of both experimental and theoretical aspects. 

To resolve hf and nuclear quadrupole interactions which are not accessible in the EPR spectra, George Feher introduced in 1956 a double resonance technique, in which the spin system is simultaneously irradiated by a microwave (MW) and a radio frequency (rf) field3. This electron nuclear double resonance (ENDOR) spectroscopy has widely been applied in physics, chemistry and biology during the last 25 years. Several monographs2,4 and review articles7 11 dealing with experimental and theoretical aspects of ENDOR have been published. 

The chapter ends with a long-debated issue, that is, whether an electron donor molecule reacts as a single electron donor or as a nucleophile in an SN2 reaction. The experimental and theoretical aspects of this question are discussed in Section 3.7. 

In addition to this clarification, many other major events in the history of fluorescence occurred during the first half of the twentieth century. The most important are reported in Table 1.3, together with the names of the associated scientists. It is remarkable that the period 1918-35 (i.e. less than 20 years) was exceptionally fecund for the understanding of the major experimental and theoretical aspects of fluorescence and phosphorescence. 

S. N. Magonov and M-H. Whangbo, Surface Analysis with STM and AFM, Experimental and Theoretical Aspects of Image Analysis, VCH, New York, 1996. 

Like the 1994-issue of the series "Electron Transfer", the second volume again covers various aspects of this fundamental process. The articles are concerned with the experimental and theoretical aspects of electron transfer in chemistry and biology. In the latter, emphasis is given to energy transfer, which is also part of photosynthesis. 

Beck, A.T. (1967) Depression Clinical, Experimental and Theoretical Aspects. New York Harper Row. 

First experimental observations of the nuclear magnetic resonance (NMR) phenomenon were made in 1946 independently by groups working under Bloch (7) at Stanford and Purcell 112) at Harvard. For this discovery, these two physicists jointly were awarded the Nobel prize in physics in 1952. The experimental and theoretical aspects of nuclear magnetic resonance (NMR) have been developed rapidly so that today it is an indispensable technique for the investigation of a wide variety of chemical and physical phenomena. 

The combustion of flammable gaseous hydrocarbon mixtures may be divided into two processes deflagration, or subsonic combustion, and detonation, or supersonic combustion. Some of the experimental and theoretical aspects of propagation, stabilization, unsteady phenomena, and chemical phenomena of deflagration and detonation are reviewed. The significance of flow parameters in dealing with hydrocarbon combustion is discussed. A brief review of pertinent, important work recently performed in these fields is presented. 

This, in turn, generated a massive further theoretical controversy over just how 13 should be interpreted, which, for a time, even became apart of Cold-War politics 4 We shall examine experimental and theoretical aspects of the benzene structure in some detail later. It is interesting that more than 100 years after Kekule s proposal the final story on the benzene structure is yet to be told." ... 

H.-H. Limbach, G. Scherer, L. Meschede, F. Aguilar-Parrilla, B. Wehrle, J. Braun, Ch. Hoelger, H. Benedict, G. Buntkowsky, W. P. Fehlhammer, J. Elguero, J. A. S. Smith and B. Chaudret in Ultrafast Reaction Dynamics and Solvent Effects, Experimental and Theoretical Aspects, (Eds. Y. Gauduel and P. J. Rossky), American Institute of Physics, 1993. 

Positron physics has undergone very rapid development during the past several years. Accordingly, there has developed a need for a comprehensive up-to-date review of the field, which we hope this book will satisfy. No other extensive review of both experimental and theoretical aspects of the field has been published previously and therefore we believe it is timely to publish this book now. 

Ji HF, Yan X, McShane M J. Experimental and theoretical aspects of glucose measurement using a microcantilever modified by enzyme-containing polyacrylamide. Diabetes Technology Therapeutics 2005, 7, 986-995. 

The oxidation-reduction reactions of transition metal complexes have been the object of extensive investigations in the last twenty years. Since comprehensive reviews are available61-68 on the experimental and theoretical aspects of these reactions, we will only deal with those aspects which are more strictly related to our topic. 

In the paper we continue the researches started in [1] where the possibility of existence of T-junctions of (6,6) CNT with graphite monolayer was shown. Here some samples of T-junctions of carbon zigzag and armchair CNTs are investigated. Experimental and theoretical aspects of perspectives of using of CNT T-junctions as elements of future nanoscale electronic devices are considered earlier in [4-10]. 

Included in this volume are six articles devoted to a process which is basic not only in chemistry, but in biology and physics. The intent is to provide a critical review of some topics in photo-induced electron transfer (PET) in order to complement existing works. All articles are concerned with experimental and theoretical aspects of PET in organic chemistry. The interdisciplinary character of PET is already reflected in the preceding volumes of this series as will be so in the following volumes for electron transfer in general. 

There have been many recent reviews of denaturation and renaturation (j2,3) and the many related theoretical areas, such as the effects of amino acid composition and microenvironment on protein structure (4 ), the empirical prediction of protein conformation (5J, and the experimental and theoretical aspects of protein folding (6.). 

Oxidation of hydrocarbons has long been considered as a fundamental problem to atmospheric chemists, both from experimental and theoretical points of view, because of the inherent complexity. The reaction kinetics and mechanism of atmospheric hydrocarbons have been the focuses of numerous researches in both experimental and theoretical aspects. Although advances have been made in elucidation of the VOC oxidation mechanisms, large uncertainty and tremendous numbers of unexplored reactions still remain. Several review articles on the atmospheric degeneration of VOCs have been published [4,11-14]. In this review, recent advances in the application of theoretical methods to the atmospheric oxidation of biogenic hydrocarbons are discussed. We will introduce the backgrounds on the quantum chemical calculations and kinetic rate theories, recent progress on theoretical studies of isoprene and a-, y3-pinenes, and studies on other monoter-penes and sesquiterpenes. 

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