Stefan Sieber

ONIOM:  A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(<i>t</i>-Bu)₃)₂ + H₂ Oxidative Addition

Mats Svensson, Stéphane Humbel, Robert D. J. Froese et al. · The Journal of Physical Chemistry · 1996 · 2K citations

Natural Sciences, Chemistry, Physics +17

The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for <i>n</i>-butane conformation and <i>S</i> <i>N</i>2 reaction: RCl+Cl−

Stéphane Humbel, Stefan Sieber, Keiji Morokuma · The Journal of Chemical Physics · 1996 · 671 citations

Natural Sciences, Chemistry, Physics +16

A test of the new ?integrated MO + MM? (IMOMM) method for the conformational energy of ethane andn-butane

Toshiaki Matsubara, Stefan Sieber, Keiji Morokuma · International Journal of Quantum Chemistry · 1996 · 185 citations

Natural Sciences, Chemistry, Physics +15

N2 Cleavage by Three-Coordinate Group 6 Complexes. W(III) Complexes Would Be Better Than Mo(III) Complexes

Qiang Cui, Djamaladdin G. Musaev, Mats Svensson et al. · Journal of the American Chemical Society · 1995 · 123 citations

Natural Sciences, Chemistry, Analytical Chemistry +9

The tert-butyl cation (C4H9+) potential energy surface

Stefan Sieber, Peter Buzek, Paul v. R. Schleyer et al. · Journal of the American Chemical Society · 1993 · 119 citations

Natural Sciences, Chemistry, Inorganic Chemistry +10