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Disambiguation of "Frauenheim, Thomas"

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SCC-DFTB parameters for simulating hybrid gold-thiolates compounds.

, , , , , , , and . J. Comput. Chem., 36 (27): 2075-2087 (2015)

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Thomas Frauenheim

Thomas Frauenheim

Thomas Frauenheim

Thomas Frauenheim

Thomas Frauenheim

 

Other publications of authors with the same name

A complete set of self-consistent charge density-functional tight-binding parametrization of zinc chalcogenides (ZnX; X=O, S, Se, and Te)., , , , and . J. Comput. Chem., 33 (12): 1165-1178 (2012)Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis., , , , , and . J. Comput. Chem., 24 (5): 565-581 (2003)Computational photochemistry of retinal proteins., , , and . J. Comput. Aided Mol. Des., 20 (7-8): 511-518 (2006)Analytical excited state forces for the time-dependent density-functional tight-binding method., , , and . J. Comput. Chem., 28 (16): 2589-2601 (2007)Quantum Coherences as a Thermodynamic Potential., , and . Open Syst. Inf. Dyn., 26 (4): 1950022:1-1950022:19 (2019)SLABCC: Total energy correction code for charged periodic slab models., , , and . Comput. Phys. Commun., (2019)Fortnet, a software package for training Behler-Parrinello neural networks., , , , , and . Comput. Phys. Commun., (2023)Analytical excited state forces for the time-dependent density-functional tight-binding method Journal of Computational Chemistry 28, 2589., , , and . J. Comput. Chem., 33 (5): 593 (2012)