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Challenges in modelling homogeneous catalysis: new answers from ab initio molecular dynamics to the controversy over the Wacker process

Corresponding authors
Institute of Organic Chemistry, Research Centre for Natural Sciences of HAS, Budapest, Hungary
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, India
Fax: +91-512-259-7436
Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Spain
Fax: +34 935812477
Chem. Soc. Rev., 2014,43, 4940-4952

DOI: 10.1039/C3CS60469A
Received 20 Dec 2013, First published online 20 Mar 2014
This article is part of themed collection: Applied Computational Chemistry
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