Stefan Dapprich

A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu

Andreas W. Ehlers, Marlis Böhme, Stefan Dapprich et al. · Chemical Physics Letters · 1993 · 2.1K citations

A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives

Stefan Dapprich, István Komáromi, K. Suzie Byun et al. · Journal of Molecular Structure THEOCHEM · 1999 · 2.1K citations

Numerical Analysis, Numerical Computation, Engineering +9

Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM

Thom Vreven, K. Suzie Byun, István Komáromi et al. · Journal of Chemical Theory and Computation · 2006 · 951 citations · Full text

Electronic Embedding, Engineering, Computational Chemistry +21

A set of d-polarization functions for pseudo-potential basis sets of the main group elements AlBi and f-type polarization functions for Zn, Cd, Hg

A. Höllwarth, Marlis Böhme, Stefan Dapprich et al. · Chemical Physics Letters · 1993 · 933 citations

Investigation of Donor-Acceptor Interactions: A Charge Decomposition Analysis Using Fragment Molecular Orbitals

Stefan Dapprich, Gernot Frenking · The Journal of Physical Chemistry · 1995 · 790 citations

Engineering, Altmetric Attention Score, Excitation Energy Transfer +21