论文成果
- Recent progress for density functional theory calculations towards reactions at solid-liquid interface.-Abstracts of Papers of the American Chemical Society-2014-01-01-248
- Facile formation and redox of benzoxazole-2-thiolate-bridged dinuclear Pt(II/III) complexes.-Dalton Transactions-2012-01-01-41
- Constrained Broyden Dimer Method with Bias Potential for Exploring Potential Energy Surface of Multistep Reaction Process.-Journal of Chemical Theory and Computation-2012-01-01-8
- First Principles Tafel Kinetics for Resolving Key Parameters in Optimizing Oxygen Electrocatalytic Reduction Catalyst.-Journal of Physical Chemistry C-2012-01-01-116
- Multiscale Study of Hydrogen Adsorption, Diffusion, and Desorption on Li-Doped Phthalocyanine Covalent Organic Frameworks.-Journal of Physical Chemistry C-2012-01-01-116
- Stochastic Surface Walking Method for Structure Prediction and Pathway Searching.-Journal of Chemical Theory and Computation-2013-01-01-9
- From Atoms to Fullerene: Stochastic Surface Walking Solution for Automated Structure Prediction of Complex Material.-Journal of Chemical Theory and Computation-2013-01-01-9
- Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions.-Journal of Chemical Theory and Computation-2013-01-01-9
- Carbonyl Bonding on Oxophilic Metal Centers: Infrared Photodissociation Spectroscopy of Mononuclear and Dinuclear Titanium Carbonyl Cation Complexes.-Journal of Physical Chemistry A-2013-01-01-117
- Infrared Photodissociation Spectroscopy of Mass Selected Homoleptic Copper Carbonyl Cluster Cations in the Gas Phase.-Journal of Physical Chemistry A-2013-01-01-117
