代表性论文:
燃烧化学:
1. 甯红波, 李泽荣, 李象远, 燃烧反应动力学研究进展,物理化学学报,2016, 32(1), 131–153(综述).
2. Ning, H.-B., et al., “Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis”,J.Phys.Chem. A, 2015,119,4093.
3. Liu, A.-K., et al.,“Flux Projection Tree Method for Mechanism Reduction”, Energy Fuels, 2014,28,5426.
4. Xiong, S.-Z., et al., “Reaction of ketenyl radical with hydroxyl radical over C2H2O2 potential energy surface: a theoretical study”,Combust. Flame,2014,161,885.
5. Wang, Q.-D., et al., “Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate”, Proc. Combust. Inst.,2013, 34 187.
6. Wang Q.-D., at al. “keletal mechanism generation for high-temperature oxidation of kerosene surrogates”, Combust. Flame,2012: 91.
7. Wang Q.-D., “Reactive molecular dynamics simulation and chemical kinetic modeling?of pyrolysis and combustion of n-dodecane”, Combust. Flame, 2011, 158: 217.
溶剂化理论:
1.Xu L.-K.,Bi T.-J.,Ming M.-J., Wang J.-B., Li X.-Y.Photoinduced charge-transfer electronic excitation of tetracyanoethylene/-tetram-
ethylethylene complex in dichloromethane, Chem. Phys. Lett. 2017, 679, 158.
2. Li X.-Y., “An Overview of Continuum Models for Nonequilibrium Solvation: Popular Theories and New Challenge”, Int. J. Quantum Chem. (Review), 2015, 115, 700.
3. Bi T.-J., et al., “Numerical solution of solvent reorganization energy and its application in electron transfer reaction”,Theor. Chem. Acc., 2014,133,10,1.
4. Ren H.-S. et al.,“Solvent effect on UV/Vis absorption and emission spectra in aqueous solution based on a modified form of solvent reorganization energy”, Chem. Phys. Lett., 2013, 583,213.
5. Ren H.-S., et al., “Theoretical Calculation of Reorganization Energy for Electron Self-Exchange Reaction by Constrained Density Functional Theory andConstrained Equilibrium Thermodynamics”, J. Phys. Chem. A, 2013, 117, 8017.
6. Wu H.-Y., et al. “A Modified Two-sphere Model for Solvent Reorganization Energy in?Electron Transfer”, Phys. Chem. Chem. Phys., 2012,14, 5538.