| 1 |
Exploring Cycloreversion Reaction of Cyclobutane Pyrimidine Dimers Quantum Mechanically
Huang DL, Chen SF, Pu JZ, Tan XC, Zhou Y
Journal of Physical Chemistry A, 123(10), 2025, 2019 |
| 2 |
A Coupled Polarization-Matrix Inversion and Iteration Approach for Accelerating the Dipole Convergence in a Polarizable Potential Function
Xie WS, Pu JZ, Gao JL
Journal of Physical Chemistry A, 113(10), 2109, 2009 |
| 3 |
Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions
Pu JZ, Gao JL, Truhlar DG
Chemical Reviews, 106(8), 3140, 2006 |
| 4 |
Mechanisms and free energies of enzymatic reactions
Gao JL, Ma SH, Major DT, Nam K, Pu JZ, Truhlar DG
Chemical Reviews, 106(8), 3188, 2006 |
| 5 |
Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter- and intramonomeric correlated motions
Pang JY, Pu JZ, Gao JL, Truhlar DG, Allemann RK
Journal of the American Chemical Society, 128(24), 8015, 2006 |
| 6 |
Benchmark calculations of reaction energies, barrier heights, and transition-state geometries for hydrogen abstraction from methanol by a hydrogen atom
Pu JZ, Truhlar DG
Journal of Physical Chemistry A, 109(5), 773, 2005 |
| 7 |
Small temperature dependence of the kinetic isotope effect for the hydride transfer reaction catalyzed by Escherichia coli dihydrofolate reductase
Pu JZ, Ma SH, Gao JL, Truhlar DG
Journal of Physical Chemistry B, 109(18), 8551, 2005 |
| 8 |
Temperature dependence of carbon-13 kinetic isotope effects of importance to global climate change
Lin H, Zhao Y, Ellingson BA, Pu JZ, Truhlar DG
Journal of the American Chemical Society, 127(9), 2830, 2005 |
| 9 |
Nonperfect synchronization of reaction center rehybridization in the transition state of the hydride transfer catalyzed by dihydrofolate reductase
Pu JZ, Ma SH, Garcia-Viloca M, Gao JL, Truhlar DG, Kohen A
Journal of the American Chemical Society, 127(42), 14879, 2005 |
| 10 |
Generalized hybrid orbital (GHO) method for combining ab initio Hartree-Fock wave functions with molecular mechanics
Pu JZ, Gao JL, Truhlar DG
Journal of Physical Chemistry A, 108(4), 632, 2004 |
