Xinrui Yu

The 1-D hindered rotor approximation

Jim Pfaendtner, Xinrui Yu, Linda J. Broadbelt · Theoretical Chemistry Accounts · 2007 · 207 citations

Numerical Analysis, Numerical Computation, Engineering +3

Ab Initio Study of Acrylate Polymerization Reactions: Methyl Methacrylate and Methyl Acrylate Propagation

Xinrui Yu, Jim Pfaendtner, Linda J. Broadbelt · The Journal of Physical Chemistry A · 2008 · 78 citations

Chemical Kinetics, Engineering, Methanol +18

Quantum Chemical Investigation of Low-Temperature Intramolecular Hydrogen Transfer Reactions of Hydrocarbons

Jim Pfaendtner, Xinrui Yu, Linda J. Broadbelt · The Journal of Physical Chemistry A · 2006 · 59 citations

Engineering, Proton-coupled Electron Transfer, Quantum Chemical Investigation +18

Kinetic Study of the Copolymerization of Methyl Methacrylate and Methyl Acrylate Using Quantum Chemistry

Xinrui Yu, Seth E. Levine, Linda J. Broadbelt · Macromolecules · 2008 · 48 citations

Macromolecular Chemistry, Engineering, Chemistry +18

Thermochemistry of Radicals and Molecules Relevant to Atmospheric Chemistry: Determination of Group Additivity Values using G3//B3LYP Theory

Shumaila S. Khan, Xinrui Yu, Jeffrey R. Wade et al. · The Journal of Physical Chemistry A · 2009 · 36 citations

Radical Emission, Engineering, Group Additivity Values +20