Nobuaki Koga

Determination of the lowest energy point on the crossing seam between two potential surfaces using the energy gradient

Nobuaki Koga, Keiji Morokuma · Chemical Physics Letters · 1985 · 247 citations

Natural Sciences, Computational Engineering, Surface Science +10

An ab initio MO and MM study of homogeneous olefin polymerization with silylene-bridged zirconocene catalyst and its regio- and stereoselectivity

Hiroshi Kawamura-Kuribayashi, Nobuaki Koga, Keiji Morokuma · Journal of the American Chemical Society · 1992 · 240 citations

Natural Sciences, Chemical Engineering, Chemistry +11

Ruthenium-Catalyzed Hydration of 1-Alkynes to Give Aldehydes:  Insight into <i>a</i><i>nti</i>-Markovnikov Regiochemistry

Makoto Tokunaga, Toshiaki Suzuki, Nobuaki Koga et al. · Journal of the American Chemical Society · 2001 · 191 citations

Natural Sciences, Chemistry, Catalysis +14

Quantifying the Electronic Effect of Substituted Phosphine Ligands via Molecular Electrostatic Potential

Cherumuttathu H. Suresh, Nobuaki Koga · Inorganic Chemistry · 2002 · 183 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Acetylene .pi.-Coordination, Slippage to .sigma.-Coordination, and 1,2-Hydrogen Migration Taking Place on a Transition Metal. The case of a Ru(II) Complex as Studied by Experiment and ab Initio Molecular Orbital Simulations

Yasuo Wakatsuki, Nobuaki Koga, Hiroshi Yamazaki et al. · Journal of the American Chemical Society · 1994 · 178 citations

Natural Sciences, Chemistry, Physics +12