New directions in the modeling of or...
Lledos, Agustí.

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  • New directions in the modeling of organometallic reactions
  • 紀錄類型: 書目-電子資源 : Monograph/item
    正題名/作者: New directions in the modeling of organometallic reactions/ edited by Agustí Lledos, Gregori Ujaque.
    其他作者: Lledos, Agustí.
    出版者: Cham :Springer International Publishing : : 2020.,
    面頁冊數: ix, 269 p. :ill., digital ;24 cm.
    內容註: What Makes a Good (Computed) Energy Profile?- Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF3 Transfer Reactions from Quantum Chemical Calculations -- Artificial Force Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions -- DFT-Based Microkinetic Simulations: A Bridge Between Experiment and Theory in Synthetic Chemistry -- A Quantitative Approach to Understanding Reactivity in Organometallic Chemistry -- Computational Modeling of Selected Photoactivated Processes -- Ligand Design for Asymmetric Catalysis: Combining Mechanistic and Chemoinformatics Approaches -- Dealing with Spin States in Computational Organometallic Catalysis -- Characterizing the Metal Ligand Bond Strength via Vibrational Spectroscopy: The Metal Ligand Electronic Parameter MLEP.
    Contained By: Springer Nature eBook
    標題: Organometallic chemistry. -
    電子資源: https://doi.org/10.1007/978-3-030-56996-9
    ISBN: 9783030569969
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