Computational Catalysis by Aravind Asthagiri HARDBACK 9781849734516

Name: Computational Catalysis by Aravind Asthagiri HARDBACK 9781849734516
Brand: Royal Society of Chemistry

Royal Society of Chemistry

Computational Catalysis\nby Aravind Asthagiri\nHardback\nEnglish\n\nBrand new copy from BookCurl \u2013 the UK independent online bookseller.\n\n------------------------------\nBook details\n------------------------------\nAuthor: Aravind Asthagiri\nTitle: Computational Catalysis\nFormat: Hardback\nLanguage: English\nTopic: Catalysis\nPublisher: Royal Society of Chemistry\nPublication year: 2013\nISBN-13: 9781849734516\nISBN-10: 1849734518\nRRP: \u00A3139.99\n\n------------------------------\nDescription\n------------------------------\nThe field of computational catalysis has existed in one form or another for at least 30 years. Its ultimate goal - the design of a novel catalyst entirely from the computer. While this goal has not been reached yet, the 21st Century has already seen key advances in capturing the myriad complex phenomena that are critical to catalyst behaviour under reaction conditions. This book presents a comprehensive review of the methods and approaches being adopt.