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  • Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics /
  • 紀錄類型: 書目-電子資源 : Monograph/item
    正題名/作者: Computational chemistry/ by Errol G. Lewars.
    其他題名: introduction to the theory and applications of molecular and quantum mechanics /
    作者: Lewars, Errol G.
    出版者: Cham :Springer International Publishing : : 2024.,
    面頁冊數: xvi, 749 p. :ill., digital ;24 cm.
    內容註: An Outline of What Computational Chemistry is All About -- The Concept of the Potential Energy Surface -- Molecular Mechanics -- Introduction to Quantum Mechanics in Computational Chemistry -- Ab Initio Calculations -- Semiempirical Calculations -- Density Functional Calculations -- Some "Special" Topics: (Section 8.1) Solvation, (Section 8.2) Singlet Diradicals, (Section 8.3) A Note on Heavy Atoms and Transition Metals -- Selected Literature Highlights, Books, Websites, Software and Hardware.
    Contained By: Springer Nature eBook
    標題: Computational chemistry. -
    電子資源: https://doi.org/10.1007/978-3-031-51443-2
    ISBN: 9783031514432
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W9492163 電子資源 11.線上閱覽_V 電子書 EB QD455.3.M3 L49 2024 一般使用(Normal) 在架 0
  • 1 筆 • 頁數 1 •
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