Christoph R. Jacob

The structures of small gold cluster anions as determined by a combination of ion mobility measurements and density functional calculations

Filipp Furche, Reinhart Ahlrichs, Patrick Weis et al. · The Journal of Chemical Physics · 2002 · 538 citations

Engineering, Nanocluster, Computational Chemistry +19

Subsystem density‐functional theory

Christoph R. Jacob, Johannes Neugebauer · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 373 citations

Engineering, Computational Chemistry, Chemistry +16

Quantum-chemical embedding methods for treating local electronic excitations in complex chemical systems

André Severo Pereira Gomes, Christoph R. Jacob · Annual Reports Section C (Physical Chemistry) · 2012 · 221 citations

Quantum Dynamic, Quantum Science, Different Embedding Approaches +15

Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds

Samuel Fux, Christoph R. Jacob, Johannes Neugebauer et al. · The Journal of Chemical Physics · 2010 · 200 citations · Full text

Localizing normal modes in large molecules

Christoph R. Jacob, Markus Reiher · The Journal of Chemical Physics · 2009 · 170 citations · Full text

Vibronic Interaction, Normal Modes, Engineering +13