Publikationen
Zeitschriftenartikel (7)
2018
Zeitschriftenartikel
Schulz, C. E.; ; Izsák, R.; Pantazis, D. A. Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones. Journal of Computational Chemistry 2018, 39, 2439–2451.
Zeitschriftenartikel
Dutta, A. K.; Neese, F.; Izsák, R. Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation. Molecular Physics 2018, 116, 1428–1434.
Zeitschriftenartikel
Stoychev, G. L.; Auer, A. A.; Izsák, R.; Neese, F. Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals. Journal of Chemical Theory and Computation 2018, 14, 619–637.
Zeitschriftenartikel
Dutta, A. K.; ; Neese, F.; Izsák, R. Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies. Journal of Chemical Theory and Computation 2018, 14, 72–91.