{"product_id":"9781394241682","title":"Introduction to Computational Chemistry","description":"\u003ch1\u003eIntroduction to Computational Chemistry\u003c\/h1\u003e\u003ch3\u003eFrank Jensen\u003c\/h3\u003e\u003cdiv\u003e\u003cb\u003eScience \/ Chemistry \/ Computational \u0026amp; Molecular Modeling\u003c\/b\u003e\u003c\/div\u003e\u003cbr\u003e\u003cdiv\u003e\n\u003cp\u003e\u003ci\u003eIntroduction to Computational Chemistry 4\u003c\/i\u003e\u003csup\u003e\u003ci\u003eth\u003c\/i\u003e\u003c\/sup\u003e\u003ci\u003e Edition\u003c\/i\u003e provides a comprehensive account of the fundamental principles underlying different computational chemistry methods. No prior knowledge of concepts specific to computational chemistry is required, although some understanding of introductory quantum mechanics and elementary mathematics is assumed. \u003c\/p\u003e\n\u003cp\u003e The content is fully revised and updated throughout to reflect important method developments since the prior edition. Published in full colour for the first time, the 4\u003csup\u003eth\u003c\/sup\u003e edition contains significantly upgraded chapters and sections on the following topics: \u003c\/p\u003e\n\u003cul\u003e \u003cli\u003eSimulation techniques, primarily using classical (force field) models, techniques for enhanced sampling and how to extract information from simulations.\u003c\/li\u003e \u003cli\u003eElectronic structure methods for extended (periodic) systems, exploring how they differ from molecular systems, technical difference and including discussion of band structure.\u003c\/li\u003e \u003cli\u003eMachine Learning \/ Artificial Intelligence methods, non-linear data fitting methods, artificial neural networks.\u003c\/li\u003e \u003cli\u003eTheoretical and computational exercises.\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eAn accessible introduction to the field, covering theory and practical aspects, this classic text is an invaluable guide for advanced undergraduates and graduate students in computational chemistry, as well as for professional researchers using computational methods as a tool for interpretations and designing new experiments and compounds.\u003c\/p\u003e\n\u003c\/div\u003e\u003cdiv\u003e  \u003cp\u003e\u003cb\u003eDr Frank Jensen \u003c\/b\u003eis an Associate Professor in the Department of Chemistry, Aarhus University, Denmark. He obtained his Ph.D. from UCLA in 1987 with Professors C. S. Foote and K. N. Houk,  and has published extensively in theoretical and computational chemistry journals.\u003c\/p\u003e\n\u003c\/div\u003e\u003cbr\u003e\u003ctable\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublication Date: \u003c\/td\u003e\n\u003ctd\u003e05 April 2027\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublisher: \u003c\/td\u003e\n\u003ctd\u003eWiley\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eImprint: \u003c\/td\u003e\n\u003ctd\u003eWiley\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eISBN-13: \u003c\/td\u003e\n\u003ctd\u003e9781394241682\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eFormat: \u003c\/td\u003e\n\u003ctd\u003ePaperback softback\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003ePage Count: \u003c\/td\u003e\n\u003ctd\u003e704\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003c\/table\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":53344148914316,"sku":"9781394241682","price":97.16,"currency_code":"USD","in_stock":true}],"url":"https:\/\/lateknightbooks.com\/products\/9781394241682","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}