Importance of thorough conformational analysis in modelling transition metal-mediated reactions: Case studies on pincer complexes containing phosphine groups

Advances in processing capabilities of computer clusters have allowed for the full modeling of organometallic complexes that previously would have been simplified to reduce computational cost. Increased feasibility of computational modeling offers new challenges, not only in terms of limitations of...

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Bibliographic Details
Main Authors: Kristin Munkerup, Michael Thulin, Davin Tan, Xiaozhi Lim, Richmond Lee, Kuo-Wei Huang
Format: Article
Language:English
Published: Elsevier 2019-12-01
Series:Journal of Saudi Chemical Society
Online Access:http://www.sciencedirect.com/science/article/pii/S131961031930078X