研究领域

My research interests are in the area of molecular electronic structure theory and involve methodological work and code development, as well as theoretical studies of bonding, reactivity and other electronic properties of molecular systems in organic, inorganic chemistry and materials science.

My research interests are in the area of molecular electronic structure theory and involve methodological work and code development, as well as theoretical studies of bonding, reactivity and other electronic properties of molecular systems in organic, inorganic chemistry and materials science.

近期论文

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P. B. Karadakov and K. Morokuma, ONIOM as an Efficient Tool for Calculating NMR Chemical Shielding Constants in Large Molecules, Chem. Phys. Lett. 2000, 317, 589-596.