Download Advances in Molecular Structure Research, Volume 1 (Advances by Magdolna Hargittai PDF

By Magdolna Hargittai

Development in molecular constitution examine displays growth in chemistry in lots of methods. a lot of it truly is therefore combined inseparably with the remainder of chemistry. apparently to be prudent, even if, to study the frontiers of this box every now and then. this can aid the structural chemist to delineate the most thrusts of advances during this quarter of study. what's much more very important even though, those efforts could help the remainder of the chemists to benefit approximately new probabilities in structural reports, either methodological and interpretation. the purpose is to make this a user-oriented sequence. Structural chemists of excellence might be significantly comparing a box or course together with their very own achievements, and charting anticipated advancements.

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It is to be stressed, of course, that the geometry of the molecule is only one of the three major aspects of molecular structure. The other two are the intramolecular motion, which comprises the relative displacements of the atomic nuclei with respect to their equilibrium positions, and the electron density distribution. Furthermore, molecular structure is only one of the characteristics structural chemistry is dealing with. Since our introductory chapter deals primarily with molecular geometry, it covers only a relatively small, though fundamentally important segment of structural chemistry.

We have already quoted Kepler [3(b)] who first considered packing as he was examining the beautiful snow crystals. The atomistic views date back, of course, to the Greek philosophers of whom Democritos (460-370 B. C. ) stated: "Nothing exists except atoms and empty space; everything else is opinion" [14]. It is also noteworthy that the representation of the internal structure of snowflakes by Kepler, as densely stacked balls (Figure 3), appeared 200 years before Dalton and 300 years before X-ray crystallography began.

58 Note . . . . . . . . . . . . . . . . . . . . 58 References . . . . . . . . . . . . . . . . . . . 58 Advances in Molecular Structure Research Volume 1, pages 33-61. Copyright 9 1995 by JAI Press Inc. All rights of reproduction in any form reserved. ISBN: 1-55938-799-8 33 34 ISTV,g,N HARGITTAI and MAGDOLNA HARGITTAI ABSTRACT Over the past years the accuracy of molecular structure determination has increased. This is due not only to improved experimental and computational facilities, and to the combined application of various techniques, but also to a better understanding of the physical meaning of structural information from different sources.

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