Shiro Koseki

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

Natural Sciences, Chemistry, Physics +17

Spin-orbit coupling in molecules: Chemistry beyond the adiabatic approximation

Dmitri G. Fedorov, Shiro Koseki, Michael W. Schmidt et al. · International Reviews in Physical Chemistry · 2003 · 329 citations

Natural Sciences, Chemistry, Physics +17

MCSCF/6-31G(d,p) calculations of one-electron spin-orbit coupling constants in diatomic molecules

Shiro Koseki, Michael W. Schmidt, Mark S. Gordon · The Journal of Physical Chemistry · 1992 · 305 citations

Natural Sciences, Chemistry, Physics +14

A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)

Dmitri G. Fedorov, Ryan M. Olson, Kazuo Kitaura et al. · Journal of Computational Chemistry · 2004 · 266 citations

Computing, Chemistry, Computer Science +14

Main Group Effective Nuclear Charges for Spin-Orbit Calculations

Shiro Koseki, Mark S. Gordon, Michael W. Schmidt et al. · The Journal of Physical Chemistry · 1995 · 236 citations

Natural Sciences, Chemistry, Physics +9