Tim Neudecker
Tim Neudecker
Assistant professor, University of Bremen, Germany
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Zitiert von
Zitiert von
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 084801, 2021
Advances in quantum mechanochemistry: electronic structure methods and force analysis
T Stauch, A Dreuw
Chemical Reviews 116 (22), 14137-14180, 2016
A quantitative quantum-chemical analysis tool for the distribution of mechanical force in molecules
T Stauch, A Dreuw
The Journal of Chemical Physics 140 (13), 134107, 2014
Quantum chemical strain analysis for mechanochemical processes
T Stauch, A Dreuw
Accounts of Chemical Research 50 (4), 1041-1048, 2017
Strain visualization for strained macrocycles
CE Colwell, TW Price, T Stauch, R Jasti
Chemical Science 11 (15), 3923-3930, 2020
A Multi-Resolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography
S Liu, J Li, KC Bennett, B Ganoe, T Stauch, M Head-Gordon, A Hexemer, ...
The journal of physical chemistry letters 10, 4558-4565, 2019
Knots “choke off” polymers upon stretching
T Stauch, A Dreuw
Angewandte Chemie International Edition 55 (2), 811-814, 2016
On the use of different coordinate systems in mechanochemical force analyses
T Stauch, A Dreuw
The Journal of Chemical Physics 143 (7), 074118, 2015
Nitrile-substituted 2-(oxazolinyl)-phenols: minimalistic excited-state intramolecular proton transfer (ESIPT)-based fluorophores
D Göbel, D Duvinage, T Stauch, BJ Nachtsheim
Journal of Materials Chemistry C 8 (27), 9213-9225, 2020
Force-induced retro-click reaction of triazoles competes with adjacent single-bond rupture
T Stauch, A Dreuw
Chemical science 8 (8), 5567-5575, 2017
Predicting the efficiency of photoswitches using force analysis
T Stauch, A Dreuw
The Journal of Physical Chemistry Letters 7 (7), 1298-1302, 2016
Force–spectrum relations for molecular optical force probes
T Stauch, A Dreuw
Angewandte Chemie International Edition 53 (10), 2759-2761, 2014
Twist and Return−Induced Ring Strain Triggers Quick Relaxation of a (Z)-Stabilized Cyclobisazobenzene
C Slavov, C Yang, AH Heindl, T Stauch, HA Wegner, A Dreuw, ...
The Journal of Physical Chemistry Letters 9 (16), 4776-4781, 2018
Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating
T Stauch, A Dreuw
Physical Chemistry Chemical Physics 18 (23), 15848-15853, 2016
Spectroscopic Monitoring of Mechanical Forces during Protein Folding by using Molecular Force Probes
T Stauch, MT Hoffmann, A Dreuw
ChemPhysChem 17 (10), 1486-1492, 2016
Quantum chemical modeling of molecules under pressure
T Stauch
International Journal of Quantum Chemistry 121 (3), e26208, 2021
Modeling molecules under pressure with Gaussian potentials
M Scheurer, A Dreuw, E Epifanovsky, M Head-Gordon, T Stauch
Journal of chemical theory and computation 17 (1), 583-597, 2020
A mechanochemical model for the simulation of molecules and molecular crystals under hydrostatic pressure
T Stauch
The Journal of Chemical Physics 153 (13), 134503, 2020
Quantum Chemical Modeling of Pressure‐Induced Spin Crossover in Octahedral Metal‐Ligand Complexes
T Stauch, R Chakraborty, M Head‐Gordon
ChemPhysChem 20 (21), 2742-2747, 2019
Mechanical Switching of Aromaticity and Homoaromaticity in Molecular Optical Force Sensors for Polymers
T Stauch
Chemistry–A European Journal 24 (29), 7340-7344, 2018
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