13 results on '"Yamanaka, Syusuke"'
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2. Extended Hartree-Fock theory of chemical reactions. IX. Diradical and perepoxide mechanisms for oxygenations of ethylene with molecular oxygen and iron-oxo species are revisited
3. Theoretical Investigation of Thermal Decomposition of Peroxidized Coelenterazines with and without External Perturbations
4. Theory of chemical bonds in metalloenzymes XIII: Singlet and triplet diradical mechanisms of hydroxylations with iron-oxo species and P450 are revisited
5. Theory of chemical bonds in metalloenzymes XII: Electronic and spin structures of metallo–oxo and isoelectronic species and spin crossover phenomena in oxygenation reactions
6. 2SP6-03 Towards Understanding of Protein Electronic Structures and their Biochemical Reactions by Supercomputing(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)
7. Regulation Mechanism of Spin−Orbit Coupling in Charge-Transfer-Induced Luminescence of Imidazopyrazinone Derivatives
8. Systematic Comparisons between Broken Symmetry and Symmetry-Adapted Approaches to Transition States by Chemical Indices: A Case Study of the Diels−Alder Reactions
9. Theoretical studies on the magnetic quantum tunneling rates in Mn clusters by the path integral method
10. Theoretical study of electronic structures of one-dimensional magnetic clusters composed of doublet lithium and copper atoms
11. Ab Initio Size-Consistent Calculations of Effective Exchange Interactions in Mesoscopic Magnetic Clusters Composed of Triplet Methylenes and Quartet Nitrogen Atoms
12. Theoretical Approaches to Direct Exchange Couplings between Divalent Chromium Ions in Naked Dimers, Tetramers, and Clusters
13. Theoretical and Experimental Studies of a Charge-Transfer Mechanism for Biomimetic Oxygenations of Phenol and Indol Derivatives
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