Xinrui Yu, Ph.D.
Affiliations: | Chemical and Biological Engineering | Northwestern University, Evanston, IL |
Area:
multiscale modeling, complex kinetics modeling, environmental catalysis, novel biochemical pathways, and polymerization/depolymerization kineticsGoogle:
"Xinrui Yu"Mean distance: 10.46 | S | N | B | C | P |
Parents
Sign in to add mentor| Linda J. Broadbelt | grad student | 2008 | Northwestern | |
| (Kinetic modeling of acrylate polymerization at high temperature.) | ||||
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Publications
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| Yu X, Broadbelt LJ. (2012) Kinetic study of 1,5-hydrogen transfer reactions of methyl acrylate and butyl acrylate using quantum chemistry Macromolecular Theory and Simulations. 21: 461-469 |
| Khan SS, Yu X, Wade JR, et al. (2009) 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 |
| Yu X, Pfaendtner J, Broadbelt LJ. (2008) Ab initio study of acrylate polymerization reactions: methyl methacrylate and methyl acrylate propagation. The Journal of Physical Chemistry. A. 112: 6772-82 |
| Yu X, Levine SE, Broadbelt LJ. (2008) Kinetic study of the copolymerization of methyl methacrylate and methyl acrylate using quantum chemistry Macromolecules. 41: 8242-8251 |
| Pfaendtner J, Yu X, Broadbelt LJ. (2007) The 1-D hindered rotor approximation Theoretical Chemistry Accounts. 118: 881-898 |
| Pfaendtner J, Yu X, Broadbelt LJ. (2006) Quantum chemical investigation of low-temperature intramolecular hydrogen transfer reactions of hydrocarbons. The Journal of Physical Chemistry. A. 110: 10863-71 |
| Bebe S, Yu X, Hutchinson RA, et al. (2006) Estimation of free radical polymerization rate coefficients using computational chemistry Macromolecular Symposia. 243: 179-189 |