Rational Design of Mixed Solvent Systems for Acid-Catalyzed Biomass Conversion Processes Using a Combined Experimental, Molecular Dynamics and Machine Learning Approach
Author:
Funder
Office of Science
National Science Foundation
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry,Catalysis
Link
http://link.springer.com/content/pdf/10.1007/s11244-020-01260-9.pdf
Reference59 articles.
1. Dumesic J, Topsøe H, Khammouma S, Boudart M (1975) Surface, catalytic and magnetic properties of small iron particles: II. Structure sensitivity of ammonia synthesis. J Catal 37:503–512
2. Ledesma C, Yang J, Chen D, Holmen A (2014) Recent approaches in mechanistic and kinetic studies of catalytic reactions using SSITKA technique. ACS Catal 4:4527–4547
3. Fan L, Ziegler T (1992) Nonlocal density functional theory as a practical tool in calculations on transition states and activation energies. Applications to elementary reaction steps in organic chemistry, J Am Chem Soc 114:10890–10897
4. Gokhale AA, Kandoi S, Greeley JP, Mavrikakis M, Dumesic JA (2004) Molecular-level descriptions of surface chemistry in kinetic models using density functional theory. Chem Eng Sci 59:4679–4691
5. Nørskov JK, Bligaard T, Rossmeisl J, Christensen CH (2009) Towards the computational design of solid catalysts. Nat Chem 1:37
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