Jürgen Breidung

Correlated Ab Initio and Density Functional Studies on H₂ Activation by FeO⁺

Ahmet Altun, Jürgen Breidung, Frank Neese et al. · Journal of Chemical Theory and Computation · 2014 · 123 citations

Engineering, Density Functionals, Proton-coupled Electron Transfer +19

The vibrational spectra of krypton and xenon difluoride: High-resolution infrared studies and <i>ab initio</i> calculations

H. Bürger, R. Kuna, S. Ma et al. · The Journal of Chemical Physics · 1994 · 103 citations

Fourier Transform, Molecular Spectroscopy, Vibrational Spectra +15

Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations

Hans Martin Senn, Johannes Kästner, Jürgen Breidung et al. · Canadian Journal of Chemistry · 2009 · 70 citations

Engineering, Computational Chemistry, Enzymatic Modification +23

The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from <i>ab initio</i> calculations

S. Bailleux, M. Bogey, J. Demaison et al. · The Journal of Chemical Physics · 1997 · 69 citations

Engineering, Theoretical Inorganic Chemistry, Submillimeter-wave Spectroscopy +18

The Equilibrium Structure of Methyl Fluoride

J. Demaison, Jürgen Breidung, Walter Thiel et al. · Structural Chemistry · 1999 · 69 citations