{"product_id":"computational-molecular-science-9780470723074","title":"Computational Molecular Science","description":"\u003cp\u003e • Author(s): Peter R. Schreiner\u003cbr\u003e • Publisher: Wiley\u003cbr\u003e • Publisher Imprint: Wiley\u003cbr\u003e • BISAC: Chemistry - Computational \u0026amp; Molecular Modeling\u003c\/p\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003cb\u003eEasy access to information on all aspects of molecular computations\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003e\u003ci\u003eOrder the six-volume set today and benefit from the special introductory price – full details below\u003c\/i\u003e\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003ci\u003eComputational Molecular Science\u003c\/i\u003e is the successor of the highly acclaimed \u003ci\u003eEncyclopedia of Computational Chemistry\u003c\/i\u003e, which was published by Wiley in 1998, and is the ultimate resource on all aspects of computational chemistry and its applications in chemistry, biology and materials science.\u003c\/p\u003e \u003cp\u003eCapturing the interdisciplinary flavour of the field, authors address key topics from differing perspectives such as chemistry, biology and materials science.\u003c\/p\u003e \u003cp\u003eIn order to make the material accessible to students, practitioners and researchers alike the content is presented at different depths and levels in a range of article types:\u003c\/p\u003e  *\u003cb\u003eOverviews\u003c\/b\u003e provide broad and non-technical treatment of important topics at an accessible level *Key areas of research in the style of leading review journals are presented in \u003cb\u003eAdvanced Reviews\u003c\/b\u003e for researchers and advanced students *\u003cb\u003eFocus Articles\u003c\/b\u003e present short, technical contributions describing specific real-world issues, e.g. implementations etc. *\u003cb\u003eSoftware Reviews\u003c\/b\u003e feature specific software packages of high utility in the field, with an emphasis on their capabilities and implementation rather than methodology *\u003cb\u003eOpinions\u003c\/b\u003e present individual perspectives from thought leaders in the field  \u003cp\u003eA special focus has been placed on computations and modeling of relevant biomolecules which are essential to new developments in medicinal chemistry.\u003c\/p\u003e \u003cp\u003eCovering all areas relevant to the understanding of computational molecular methods the content is structured in the following sections:\u003c\/p\u003e  *\u003cb\u003eComputer and Information Science\u003c\/b\u003e includes a wide range of techniques and applications used in cheminformatics, such as artificial intelligence, patent information, semantic web, data mining, automated synthesis design, etc. *\u003cb\u003eElectronic Structure Theory\u003c\/b\u003e covers computations of molecules based on \u003ci\u003eab initio\u003c\/i\u003e quantum molecular methods and density functional theory *\u003cb\u003eSimulation Methods\u003c\/b\u003e includes free energy methods, molecular dynamics, Monte-Carlo methods and molecular mechanics *\u003cb\u003eSoftware\u003c\/b\u003e describes examples of commercial and shareware software packages for molecular computations and modeling *\u003cb\u003eStructure and Mechanism\u003c\/b\u003e concentrates on applications in the areas of computational biochemistry and biophysics, computational materials science, molecular structures and dynamics, and reaction mechanisms *\u003cb\u003eTheoretical and Physical Chemistry\u003c\/b\u003e includes reaction dynamics, kinetics and spectroscopy","brand":"Wiley","offers":[{"title":"Hardcover","offer_id":45203410649239,"sku":"9780470723074","price":138039.0,"currency_code":"INR","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0666\/3471\/1191\/files\/9780470723074.webp?v=1767668316","url":"https:\/\/atlanticbooks.com\/products\/computational-molecular-science-9780470723074","provider":"Atlantic Books","version":"1.0","type":"link"}