{"product_id":"computational-chemistry-marcel-allavena-9789810246600","title":"Computational Chemistry: Reviews of Current Trends, Vol. 6","description":"There are strong indications that, in the 21st century, computational chemistry will be a prime research tool not only for the basic sciences but also for the life and materials sciences. Recent developments in nanotechnology allow us to detect a layer of single atoms. Researchers are able not only to image but also to manipulate molecules and atoms. It does not take much imagination to realize that before performing such a task on a real system it is much easier and faster to study models on computers. That is the aim of this volume -- it provides up-to-date reviews which cover representative areas of computational chemistry.In Chapter 1, Y Ishikawa and M J Vilkas provide a review of multireference Moller-Plesset (MR-MP) perturbation theory. Fifteen years ago Roberto Car of Princeton University and Michele Parrinello of Max Planck Institute introduced a method that revolutionized electronic structure calculations for molecules, liquids and solids. Ursula Rothlisberger, a former member of Parrinello's group, reviews the formation of the method in its most common implementations in Chapter 2. In the third chapter, Isaac B Bersuker describes the general theory of the combined quantum mechanics-molecular mechanics (QM\/MM) approach. In Chapter 4, Marcel Allavena and David White present a review of applications of computational chemistry to proton transfer, the primary process for acid-base chemistry on zeolites. Chapter 5 is a review by S Roszak and J Leszczynski of recent data on the clusters formed from the charged ion and weakly interacting ligands. The last chapter, contributed by Carlos R Handy, is devoted to recent developments in the incorporation of continuous wavelet transform analysis into quantum operator theory.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Marcel Allavena\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 9810246609\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9789810246600\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e World Scientific Publishing Company\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 08\/29\/2001\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 276\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 0.54lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 8.82h x 6.40w x 0.50d","brand":"Marcel Allavena","offers":[{"title":"Hardcover","offer_id":48448102662399,"sku":"9789810246600","price":180.0,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_c796fbc7-c25c-4239-8da2-8ce58325d11c.jpg?v=1777236911","url":"https:\/\/www.whiterainbookhouse.com\/products\/computational-chemistry-marcel-allavena-9789810246600","provider":"WR Book House","version":"1.0","type":"link"}