近期论文

C. Sun, Y. Liu, B. Xu, Y. Zeng, L. Meng*, S. Zhang*, “Theoretical study on reaction mechanism and kinetics of HNCS with CN”, J. Chem. Phys. 2013, 139, doi: 10.1063/1.4825080
X. Li*, X. Wang, X. Tong, H. Zhang, Y. Chen, Y. Liu, H. Liu, X. Wang, M. Nishiura, H. He, Z. Lin, S. Zhang,* Z. Hou*, “Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts”, Organometallics, 2013, 32, 1445-1458
Y. Liu, C. Sun, S. Zhang*, X. Li*, “The catalytic mechanism of intramolecular alkylation of a-diimine by rare earth complexes: a DFT study”, Theor. Chem. Acc. 2013, 132, 1341
G. Liu, S. He, S. Zhang*, H. Li*, “In situ ligand and complex transformation of an iron(III) Schiff base complex: structural evidence and theoretical calculations”, Dalton Trans., 2012, 41, 6256
G. Du, Y. Wei, L. Ai, Y. Chen, Q. Xu, X. Liu, S. Zhang*, Z. Hou*, X. Li*, “Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands”, Organometallics, 2011, 30, 160-170
Q. S. Li,* J. Yang, S. Zhang*, “Mechanisms of Difluoroethylene Ozonolysis: A Density Functional Theory Study”, J. Phys. Chem. A, 2005, 109, 9284-9291
Q. S. Li *, J. Zhang, S. Zhang *, “A DFT and ab initio direct dynamics study on the hydrogen abstract reaction of H3BNH3 =H2 + H2BNH2”, Chem. Phys. Lett., 2005, 404, 100-106
Q. S. Li,* Y. Zhang, S. Zhang*, “Dual Level Direct ab Initio and Density-Functional Theory Dynamics Study on the Unimolecular Decomposition of CH3OCH2 Radical”, J. Phys. Chem. A, 2004, 108, 2014-2019
S. Zhang, H. N. Nguyen, T. N. Truong*, “Theoretical Study of Mechanisms, Thermodynamics, and Kinetics of the Decomposition of Gas-Phase r-HMX (Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)”, J. Phys. Chem. A, 2003, 107, 2981-2989
S. Zhang and T. N. Truong*, “Kinetics of Hydrogen Abstraction Reaction Class H + H-C(sp3): First-Principles Predictions Using the Reaction Class Transition State Theory”, J. Phys. Chem. A 2003, 107, 1138-1147
S. Zhang and T. N. Truong*, “Branching Ratio and Pressure Dependent Rate Constants of Multichannel Unimolecular Decomposition of Gas-Phase r-HMX: An Ab Initio Dynamics Study†”, J. Phys. Chem. A 2001, 105, 2427-2434
S. Zhang, T. N. Truong*, “Direct ab initio dynamics studies of N+H2→NH+H reaction”, J. Chem. Phys., 2000, 113, 6149-6153
S. Zhang, T. N. Truong*, “Thermal Rate Constants of the NO2 Fission Reaction of Gas Phase r-HMX: A Direct ab Initio Dynamics Study”, J. Phys. Chem. A, 2000, 104, 7304-7307