Biography:
Masahiko Hada studied Quantum Chemistry (QC) in Kyoto University. Recently he has his interests centered around accurate QC calculations including the electron-correlation and the relativistic effects, and computational approaches for analyses of chemical reactions, spectroscopies and molecular properties. Recently his expertise is extended to 2c-relativistic quantum-chemical theories and its applications to NMR, electronic excited states and spectroscopies (UV, CD, MCD, CPL), and chemical reactions on metal and metal-oxide surfaces, and chemical reaction mechanisms of enzyme containing transition metals.
Title : 51V-NMR chemical shifts and analyses of vanadium complex catalysts: A Cooperation of QC calculation and MLR analysis