{"product_id":"9789401049207","title":"Structures and Conformations of Non-Rigid Molecules","description":"\u003ch1\u003eStructures and Conformations of Non-Rigid Molecules\u003c\/h1\u003e \u003ch2\u003eLaane, J.; Dakkouri, Marwan; van der Veken, Ben; Oberhammer, Heinz\u003c\/h2\u003e \u003cp\u003eFrom the beginnings of modern chemistry, molecular structure  has been a lively area of research and speculation. For more than half  a century spectroscopy and other methods have been available to  characterize the structures and shapes of molecules, particularly  those that are rigid. However, most molecules are at least to some  degree non-rigid and this non-rigidity plays an important role in such  diverse areas as biological activity, energy transfer, and chemical  reactivity. In addition, the large-amplitude vibrations present in  non-rigid molecules give rise to unusual low-energy vibrational level  patterns which have a dramatic effect on the thermodynamic properties  of these systems. Only in recent years has a coherent picture of the  energetics and dynamics of the conformational changes inherent in  non-rigid (and semi-rigid) molecules begun to emerge. Advances have  been made in a number of different experimental areas: vibrational  (infrared and Raman) spectroscopy, rotational (microwave)  spectroscopy, electron diffraction, and, most recently, laser  techniques probing both the ground and excited electronic states.  Theoretically, the proliferation of powerful computers coupled with  scientific insight has allowed both empirical and \u003cem\u003eab initio\u003c\/em\u003e  methods to increase our understanding of the forces responsible for  the structures and energies of non-rigid systems. The development of  theory (group theoretical methods and potential energy surfaces) to  understand the unique characteristics of the spectra of these floppy  molecules has also been necessary to reach our present level of  understanding.\u003cbr\u003e  The thirty chapters in this volume contributed by the key speakers at  the Workshop are divided over the various areas. Both vibrational and  rotational spectroscopy have been effective at determining the  potential energy surfaces for non-rigid molecules, often in a  complementary manner. Recent laser fluorescence work has extended  these types of studies to electronic excited states. Electronic  diffraction methods provide radial distribution functions from which  both molecular structures and compositions of conformational mixtures  can be found. \u003cem\u003eAb initio\u003c\/em\u003e calculations have progressed  substantially over the past few years, and, when carried out at a  sufficiently high level, can accurately reproduce (or predict ahead of  time) experimental findings. Much of the controversy of the ARW  related to the question of when an \u003cem\u003eab initio\u003c\/em\u003e is reliable. Since  the computer programs are readily available, many poor calculations  have been carried out. However, excellent results can be obtained from  computations when properly done. A similar situation exists for  experimental analyses. The complexities of non-rigid molecules are  many, but major strides have been taken to understand their structures  and conformational processes.\u003cbr\u003e\u003c\/p\u003e \u003ch3\u003eDetails\u003c\/h3\u003e \u003cp\u003ePublished by: Springer\u003c\/p\u003e \u003cp\u003ePublication Date: 2012-10-25\u003c\/p\u003e \u003cp\u003eFormat: Paperback\u003c\/p\u003e \u003cp\u003eISBN-13: 9789401049207\u003c\/p\u003e \u003cp\u003eDOI: 10.1007\/978-94-011-2074-6\u003c\/p\u003e \u003cp\u003eDimensions: 240cm x160cm\u003c\/p\u003e \u003cp\u003ePages: 646\u003c\/p\u003e ","brand":"Springer","offers":[{"title":"Default Title","offer_id":44398522138764,"sku":"9789401049207","price":49.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0710\/9545\/1788\/files\/9789401049207.jpg?v=1755436381","url":"https:\/\/fh90cf-fv.myshopify.com\/products\/9789401049207","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}