Physical Chemistry Theoretical Chemistry

Quantum Theory of Chemical Processes

K. Ando, The Axial Methionine Ligand may Control the Redox Reorganizations in the Active Site of Blue Copper Proteins, J. Chem. Phys., 133, 175101-1-9 (2010). K. Hyeon-Deuk, K. Ando, Quantum Effects of Hydrogen Atoms on the Dynamical Rearrangement of Hydrogen-bond Networks in Liquid Water, J. Chem. Phys., 132, 164507-1-5 (2010). K. Ando, Semiquantal Valence-Bond Wave Packet Description of Chemical Bonding, Bull. Chem. Soc. Jpn. 82, 975-986 (2009). N. Sakumichi, K. Ando, Semiquantal Analysis of Adiabatic Hydrogen Transfer Rate, J. Chem. Phys. 128, 164516-1-9 (2008). K. Ando, Ligand-to-Metal Charge-Transfer Dynamics in a Blue Copper Protein Plastocyanin: A Molecular Dynamics Study, J. Phys. Chem. B, 112, 250-256 (2008). K. Ando and M. Santer, Mixed quantum-classical Liouville molecular dynamics without momentum jump, J. Chem. Phys., 118, 10399-10406 (2003).

K. Ando and H. Sumi, Path integral Monte Carlo calculation of reaction-diffusion equation, J. Chem. Phys., 118, 8315-8320 (2003).