Basdogan et al., 2020 - Google Patents
Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicalsBasdogan et al., 2020
View PDF- Document ID
- 12742397390879246925
- Author
- Basdogan Y
- Maldonado A
- Keith J
- Publication year
- Publication venue
- Wiley Interdisciplinary Reviews: Computational Molecular Science
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We provide a critical overview of progress and challenges in computationally modeling multistep reaction mechanisms relevant for catalysis and electrocatalysis. We first discuss how the chemical and materials space of energetically efficient catalysis can be explored …
- 238000006243 chemical reaction 0 title abstract description 73
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