Shusuke Yamanaka
Toneyama National Hospital(JP)The University of Osaka(JP)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Magnetism in coordination complexes, Spectroscopy and Quantum Chemical Studies, Photosynthetic Processes and Mechanisms, Metal-Catalyzed Oxygenation Mechanisms
Most-Cited Works
- → A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems(2006)332 cited
- → Effective exchange integrals for open-shell species by density functional methods(1994)313 cited
- → Theoretical illumination of water-inserted structures of the CaMn4O5 cluster in the S2 and S3 states of oxygen-evolving complex of photosystem II: full geometry optimizations by B3LYP hybrid density functional(2012)191 cited
- → Approximately spin-projected geometry optimization method and its application to di-chromium systems(2007)140 cited
- → EHF theory of chemical reactions Part 4. UNO CASSCF, UNO CASPT2 and R(U)HF coupled-cluster (CC) wavefunctions(1994)129 cited
- → Possible mechanisms for the O–O bond formation in oxygen evolution reaction at the CaMn4O5(H2O)4 cluster of PSII refined to 1.9 Å X-ray resolution(2011)