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Publikationen

T. Stauch,* R. Chakraborty,* M. Head-Gordon, "Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes", ChemPhysChem 2019in press, DOI: 10.1002/cphc.201900853

S. Liu, J. Li, K. Bennett, B. Ganoe, T. Stauch, M. Head-Gordon, A. Hexemer, D. Ushizima, T. Head-Gordon, “A Multi-Resolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography”, J. Phys. Chem. Lett. 201910, 4558-4565

*= gleichwertiger Beitrag beider Autoren

T. Stauch, “Mechanical Switching of Aromaticity and Homoaromaticity in Molecular Optical Force Sensors for Polymers”, Chem. Eur. J. 2018, 24, 7340-7344

C. Slavov, C. Yang, A. H. Heindl, T. Stauch, H. A. Wegner, A. Dreuw, J. Wachtveitl, “Twist and Return - Induced Ring Strain Triggers Quick Relaxation of a (Z)-Stabilized Cyclobisazobenzene”, J. Phys. Chem. Lett. 2018, 9, 4776-4781

T. Stauch, A. Dreuw, “Force-induced retro-click reaction of triazoles competes with adjacent single-bond rupture”, Chem. Sci.2017, 8, 5567-5575

T. Stauch, A. Dreuw, “Quantum Chemical Strain Analysis For Mechanochemical Processes”, Acc. Chem. Res. 2017, 50, 1041-1048

T. Stauch, “Development and Application of Quantum Chemical Methods for the Description of Molecules Under Mechanical Stress“, Dissertation, Ruprecht-Karls-University Heidelberg, 2016 

T. Stauch, A. Dreuw, “Advances in Quantum Mechanochemistry: Electronic Structure Methods and Force Analysis”, Chem. Rev. 2016, 116, 14137-14180

T. Stauch, A. Dreuw, “Knots ‘Choke Off’ Polymers upon Stretching”, Angew. Chem. Int. Ed. 2016, 55, 811-814

T. Stauch, A. Dreuw, “Predicting the Efficiency of Photoswitches Using Force Analysis”, J. Phys. Chem. Lett. 2016, 7, 1298-1302

T. Stauch, A. Dreuw, “Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating”, Phys. Chem. Chem. Phys. 2016, 18, 15848-15853

T. Stauch, M. T. Hoffmann, A. Dreuw, “Spectroscopic Monitoring of Mechanical Forces during Folding by using Molecular Force Probes”, ChemPhysChem2016, 17, 1486-1492

T. Stauch, J. F. Scholtes, A. Dreuw, “Rational design of improved dienophiles for in vivo tetrazine-trans-cyclooctene ligation”, Chem. Phys. Lett.2016, 654, 6-8

T. Stauch, B. Günther, A. Dreuw, “Can Strained Hydrocarbons be ‘Forced’ To Be Stable?”, J. Phys. Chem. A 2016, 120, 7198-7204

T. Stauch, A. Dreuw, “On the use of different coordinate systems in mechanochemical force analyses”, J. Chem. Phys.2015, 143, 074118

T. Stauch, A. Dreuw, “A quantitative quantum-chemical analysis tool for the distribution of mechanical force in molecules”, J. Chem. Phys.2014, 140, 134107

T. Stauch, A. Dreuw, “Force-Spectrum Relations for Molecular Optical Force Probes”, Angew. Chemie Int. Ed. 2014, 53, 2759-2761

Aktualisiert von: Tim Stauch