Tao Yu, Ph.D.
Affiliations: | 2012 | Chemistry | University of Minnesota, Twin Cities, Minneapolis, MN |
Area:
Theoretical and Computational ChemistryGoogle:
"Tao Yu"Mean distance: 9.37 | S | N | B | C | P |
Parents
Sign in to add mentor| Donald G. Truhlar | grad student | 2012 | UMN | |
| (Multi-Structural and Multi-Path Variational Transtition State Theory. Application to Kinetics Studies of Hydrogen Transfer Reaction in Gas Phase.) | ||||
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Publications
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| Shan TD, Xu JH, Yu T, et al. (2015) Knockdown of linc-POU3F3 suppresses the proliferation, apoptosis, and migration resistance of colorectal cancer. Oncotarget |
| Chuang YW, Yu MC, Lin CL, et al. (2015) Risk of peripheral arterial occlusive disease in patients with rheumatoid arthritis. A nationwide population-based cohort study. Thrombosis and Haemostasis. 115 |
| Harshan AK, Yu T, Soudackov AV, et al. (2015) Dependence of Vibronic Coupling on Molecular Geometry and Environment: Bridging Hydrogen Atom Transfer and Electron-Proton Transfer. Journal of the American Chemical Society |
| Yu T, Higashi M, Cembran A, et al. (2013) Concerted hydrogen atom and electron transfer mechanism for catalysis by lysine-specific demethylase. The Journal of Physical Chemistry. B. 117: 8422-9 |
| Alecu IM, Zheng J, Papajak E, et al. (2012) Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling. The Journal of Physical Chemistry. A. 116: 12206-13 |
| Xu X, Yu T, Papajak E, et al. (2012) Multistructural variational transition state theory: kinetics of the hydrogen abstraction from carbon-2 of 2-methyl-1-propanol by hydroperoxyl radical including all structures and torsional anharmonicity. The Journal of Physical Chemistry. A. 116: 10480-7 |
| Seal P, Papajak E, Yu T, et al. (2012) Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal. The Journal of Chemical Physics. 136: 034306 |
| Yu T, Zheng J, Truhlar DG. (2012) Multipath variational transition state theory: rate constant of the 1,4-hydrogen shift isomerization of the 2-cyclohexylethyl radical. The Journal of Physical Chemistry. A. 116: 297-308 |
| Yu T, Zheng J, Truhlar DG. (2012) Statistical thermodynamics of the isomerization reaction between n-heptane and isoheptane. Physical Chemistry Chemical Physics : Pccp. 14: 482-94 |
| Zheng J, Yu T, Truhlar DG. (2011) Multi-structural thermodynamics of C-H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals. Physical Chemistry Chemical Physics : Pccp. 13: 19318-24 |