Elucidation of reaction mechanisms of metalloenzyme- and biomimetic-catalyzed small-molecule activation using a combined spectroscopic and computational approach

Research Interest

Inorganic Spectroscopy


    ·Electron paramagnetic resonance

    ·Zero and applied field Mössbauer spectroscopy

    ·Resonance Raman and infrared spectroscopy

    ·Magnetic circular dichroism spectroscopy

Computational Chemistry

    ·Computational investigation of mechanisms of small-molecule activation

Theoretical Spectroscopy

    ·Calculations and understanding physical origins of spectroscopic parameters

News & Events


Prof. Dr. Shengfa Ye

State Key Laboratory of Catalysis Dalian Institute of Chemical Physics, Chinese Academy of Sciences
Zhongshan Road 457, Dalian 116023, China
1994.9-1998.7 Peking University, China Environmental Science B.S. 1998.9-2001.7 Peking University, China Environmental Science M.S. 2001.10-2005.9 University of Stuttgart, Germany Inorganic Chemistry Ph.D. READ MORE

Contact us

Tel: 0411-88147155

Address:Room 408, Energy Fundamentals Building, Dalian Institute of Chemical Physics, CAS 457 Zhongshan Road Da


Research interests

Computational Chemistry

Quantum Chemistry

Theoretical Spectroscopy

Electron Paramagnetic Resonance


Resonance Raman, CD, MCD, Absorption