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Title Published in Access level OA Policy Year Views Downloads
Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on RhodopsinsJournal of chemical theory and computation
accessLevelPublic
2023 24 11
N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarizationThe Journal of chemical physics
accessLevelPublic
2022 28 10
Approximations in Modelling the Environment in Frozen Density Embedding Theory and Their Effect on the Results
accessLevelPublic
2022 375 69
Frontiers in Multiscale Modeling of Photoreceptor ProteinsPhotochemistry and Photobiology
accessLevelPublic
2021 347 227
Frozen-Density Embedding Theory based simulations using experimental electron densities for the environment
accessLevelPublic
2020 240 143
Embedding-theory-based simulations using experimental electron densities for the environmentActa Crystallographica. A, Foundations of Crystallography
accessLevelPublic
2020 290 109
The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposureSpectrochimica Acta. A, Molecular and Biomolecular Spectroscopy
accessLevelRestricted
2019 317 0
Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theoryPhysical Chemistry Chemical Physics
accessLevelRestricted
2018 247 0
Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability ThresholdJournal of Chemical Theory and Computation
accessLevelRestricted
2018 248 0
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