Publications
Journal Article (4)
2018
Journal Article
Stoychev, G. L.; Auer, A. A.; Neese, F. Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory. Journal of Chemical Theory and Computation 2018, 14, 4756–4771.
Journal Article
Krasowska, M. E.; ; ; ; ; ; ; ; ; Auer, A. A.; Evaluation of Dispersion Type Metal···π Arene Interaction in Arylbismuth Compounds - an Experimental and Theoretical Study. Beilstein Journal of Organic Chemistry 2018, 14, 2125–2145.
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Journal Article
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.
Journal Article
Auer, A. A.; ; ; Bistoni, G.; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Neese, F.; ; ; ; The Furan Microsolvation Blind Challenge for Quantum Chemical Methods: First Steps. The Journal of Chemical Physics 2018, 148, 014301.
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