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Xinrui Yu, Ph.D. - Publications

Affiliations: 
Chemical and Biological Engineering Northwestern University, Evanston, IL 
Area:
multiscale modeling, complex kinetics modeling, environmental catalysis, novel biochemical pathways, and polymerization/depolymerization kinetics
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7 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2012 Yu X, Broadbelt LJ. Kinetic study of 1,5-hydrogen transfer reactions of methyl acrylate and butyl acrylate using quantum chemistry Macromolecular Theory and Simulations. 21: 461-469. DOI: 10.1002/Mats.201200005  0.571
2009 Khan SS, Yu X, Wade JR, Malmgren RD, Broadbelt LJ. Thermochemistry of radicals and molecules relevant to atmospheric chemistry: Determination of group additivity values using G3//B3LYP Theory Journal of Physical Chemistry A. 113: 5176-5194. PMID 19338326 DOI: 10.1021/Jp809361Y  0.61
2008 Yu X, Pfaendtner J, Broadbelt LJ. Ab initio study of acrylate polymerization reactions: methyl methacrylate and methyl acrylate propagation. The Journal of Physical Chemistry. A. 112: 6772-82. PMID 18588274 DOI: 10.1021/Jp800643A  0.634
2008 Yu X, Levine SE, Broadbelt LJ. Kinetic study of the copolymerization of methyl methacrylate and methyl acrylate using quantum chemistry Macromolecules. 41: 8242-8251. DOI: 10.1021/Ma801241P  0.633
2007 Pfaendtner J, Yu X, Broadbelt LJ. The 1-D hindered rotor approximation Theoretical Chemistry Accounts. 118: 881-898. DOI: 10.1007/S00214-007-0376-5  0.584
2006 Pfaendtner J, Yu X, Broadbelt LJ. Quantum chemical investigation of low-temperature intramolecular hydrogen transfer reactions of hydrocarbons. The Journal of Physical Chemistry. A. 110: 10863-71. PMID 16970383 DOI: 10.1021/Jp061649E  0.626
2006 Bebe S, Yu X, Hutchinson RA, Broadbelt LJ. Estimation of free radical polymerization rate coefficients using computational chemistry Macromolecular Symposia. 243: 179-189. DOI: 10.1002/Masy.200651117  0.56
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