Thomas S. Hofer
Affiliations: | 2006 | University of Innsbruck, Innsbruck, Tirol, Austria |
Google:
"Thomas Hofer"Mean distance: (not calculated yet)
BETA: Related publications
See more...
Publications
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
Listyarini RV, Gamper J, Hofer TS. (2023) Storage and Diffusion of Carbon Dioxide in the Metal Organic Framework MOF-5─A Semi-empirical Molecular Dynamics Study. The Journal of Physical Chemistry. B |
Hofer TS, Listyarini RV, Hajdarevic E, et al. (2023) Beyond the Status Quo: Density Functional Tight Binding and Neural Network Potentials as a Versatile Simulation Strategy to Characterize Host-Guest Interactions in Metal- and Covalent Organic Frameworks. The Journal of Physical Chemistry Letters. 6018-6027 |
Jamal S, Naz Z, Moin ST, et al. (2023) Deciphering Structural and Dynamical Properties of Hydrated Cobalt Porphyrins via Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation. The Journal of Physical Chemistry. B |
Purtscher FRS, Christanell L, Schulte M, et al. (2023) Structural Properties of Metal-Organic Frameworks at Elevated Thermal Conditions via a Combined Density Functional Tight Binding Molecular Dynamics (DFTB MD) Approach. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 127: 1560-1575 |
Hutama AS, Marlina LA, Chou CP, et al. (2021) Development of Density-Functional Tight-Binding Parameters for the Molecular Dynamics Simulation of Zirconia, Yttria, and Yttria-Stabilized Zirconia. Acs Omega. 6: 20530-20548 |
Ozaki Y, Beć KB, Morisawa Y, et al. (2021) Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase. Chemical Society Reviews |
Bux K, Hofer TS, Moin ST. (2021) Exploring interfacial dynamics in homodimeric S-ribosylhomocysteine lyase (LuxS) from Vibrio cholerae through molecular dynamics simulations Rsc Advances. 11: 1700-1714 |
Saleh M, Hofer TS. (2021) Theoretical insight on the solvation properties of Zn2+ in pure liquid ammonia: A quantum mechanical molecular charges field molecular dynamics (QMCF-MD) study Journal of Molecular Liquids. 324: 114737 |
Saputri WD, Pranowo HD, Schuler MJ, et al. (2020) Cu in liquid ammonia-The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics. Journal of Computational Chemistry |
Schuler MJ, Hofer TS, Morisawa Y, et al. (2020) Solvation effects on wavenumbers and absorption intensities of the OH-stretch vibration in phenolic compounds - electrical- and mechanical anharmonicity via a combined DFT/Numerov approach. Physical Chemistry Chemical Physics : Pccp |