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New Directions in the Modeling of Organometallic Reactions

-15% su kodu: ENG15
431,95 
Įprasta kaina: 508,18 
-15% su kodu: ENG15
Kupono kodas: ENG15
Akcija baigiasi: 2025-03-03
-15% su kodu: ENG15
431,95 
Įprasta kaina: 508,18 
-15% su kodu: ENG15
Kupono kodas: ENG15
Akcija baigiasi: 2025-03-03
-15% su kodu: ENG15
2025-02-28 508.1800 InStock
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Knygos aprašymas

This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on Density 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 increasingly performed even by experimentalists themselves. The volume aims to connect established computational organometallics with the more recent theoretical and methodological developments applied to this field. This would allow broadening of the simulation scope toward emergent organometallic areas (as ligand design or photoactivated processes), to narrow the gap between calculations and experiments (microkinetic models) and even to discover new reactions (automated methods).
Given the broad interest and extensiveapplication that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.

Informacija

Serija: Topics in Organometallic Chemistry
Leidėjas: Springer Nature Switzerland
Išleidimo metai: 2020
Knygos puslapių skaičius: 280
ISBN-10: 3030569950
ISBN-13: 9783030569952
Formatas: 241 x 160 x 21 mm. Knyga kietu viršeliu
Kalba: Anglų

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