Georg Schreckenbach

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

Paul Sherwood, Alex H. de Vries, Martyn F. Guest et al. · Journal of Molecular Structure THEOCHEM · 2003 · 1K citations

Chemical Engineering, Engineering, Industrial Catalysis +12

Calculation of NMR Shielding Tensors Using Gauge-Including Atomic Orbitals and Modern Density Functional Theory

Georg Schreckenbach, Tom Ziegler · The Journal of Physical Chemistry · 1995 · 792 citations

Engineering, Nuclear Physics, Magnetic Resonance +18

A Reassessment of the First Metal-Carbonyl Dissociation Energy in M(CO)4 (M = Ni, Pd, Pt), M(CO)5 (M = Fe, Ru, Os), and M(CO)6 (M = Cr, Mo, W) by a Quasirelativistic Density Functional Method

Jian Li, Georg Schreckenbach, Tom Ziegler · Journal of the American Chemical Society · 1995 · 440 citations

Inorganic Chemistry, Chemical Engineering, Engineering +13

Polythiophene: From Fundamental Perspectives to Applications

T. P. Kaloni, Patrick K. Giesbrecht, Georg Schreckenbach et al. · Chemistry of Materials · 2017 · 427 citations

Fundamental Perspectives, Engineering, Organic Electronics +19

Calculation of NMR shielding tensors based on density functional theory and a scalar relativistic Pauli-type Hamiltonian. The application to transition metal complexes

Georg Schreckenbach, Tom Ziegler · International Journal of Quantum Chemistry · 1997 · 284 citations

Inorganic Chemistry, Metal Chemical Shift, Engineering +15