Microkinetic modelling in computational homogeneous catalysis and beyond
Author:
Funder
Ministerio de Ciencia e Innovación
Generalitat de Catalunya
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-023-03044-2.pdf
Reference62 articles.
1. Lledós A (2021) Computational organometallic catalysis: where we are, where we are going. Eur J Inorg Chem 26:2547
2. Eisenstein O, Ujaque G, Lledós A (2020) What makes a good (computed) energy profile? New Dir Model Organomet React 67:1–38
3. Harvey JN, Himo F, Maseras F, Perrin L (2019) Scope and challenge of computational methods for studying mechanism and reactivity in homogeneous catalysis. ACS Catal 9:6803–6813
4. Sciortino G, Maseras F (2022) Computational study of homogeneous multimetallic cooperative catalysis. Top Catal 65:105–117
5. Lan Y (2021) Computational Methods in Organometallic Catalysis. Wiley, New York
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