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Journal of Computational Chemistry
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March 3, 2022
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches
Hans Georg Gallmetzer, Thomas S Hofer
The Journal of Physical Chemistry. B
|
December 21, 2024
Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method
Hans Georg Gallmetzer, Eduarda Sangiogo Gil, Leticia González
JACS Au
|
June 26, 2026
Umbrella Sampling for Excited States Using a Semiempirical Method
Dóra Vörös, Hans Georg Gallmetzer, Johannes C B Dietschreit, et al.
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Search research articles
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Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
March 3, 2022
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches
Hans Georg Gallmetzer, Thomas S Hofer
The Journal of Physical Chemistry. B
|
December 21, 2024
Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method
Hans Georg Gallmetzer, Eduarda Sangiogo Gil, Leticia González
JACS Au
|
June 26, 2026
Umbrella Sampling for Excited States Using a Semiempirical Method
Dóra Vörös, Hans Georg Gallmetzer, Johannes C B Dietschreit, et al.
Page
of 1