Titlebook: New Directions in the Modeling of Organometallic Reactions; Agustí Lledós,Gregori Ujaque Book 2020 Springer Nature Switzerland AG 2020 com

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https://doi.org/10.1007/978-3-030-56996-9computational organometallics; organometallic chemistry; Computational modeling of reactions; Density F

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Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF3 Transfer Reactions from Quantum Chemical Cald nitrogen-based reagents, with zinc or rhodium as the metal catalysts. The roles of the metal ions are discussed, and some novel mechanistic ideas have emerged from these calculations that can have bearing on other reactions for introducing fluorine-containing groups.

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A Quantitative Approach to Understanding Reactivity in Organometallic Chemistry,only the good performance of this computational methodology to understand the physical factors controlling the reactivity in organometallic chemistry but also its usefulness toward the rational design of more efficient transformations.

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Book 2020ity Functional Theory (DFT) have been fully incorporated into the toolbox of organometallic chemists’ methods. Nowadays, energy profiles of multistep processes are routinely calculated, and detailed mechanistic pictures of the reactions arise from these calculations. This type of analysis is increas

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onal activities of companies have gained dramatically in importance. Empirical evidence for this statement can be found, for instance, in the rapid growth of world trade and in foreign direct investment flows as well as in the high share of intra company trade on total world trade, indicating the re