| Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins | Journal of chemical theory and computation |  | | 2023 | 64 | 45 |
|
| N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization | The Journal of chemical physics | | | 2022 | 79 | 60 |
|
| Approximations in Modelling the Environment in Frozen Density Embedding Theory and Their Effect on the Results | | | | 2022 | 643 | 157 |
|
| Frontiers in Multiscale Modeling of Photoreceptor Proteins | Photochemistry and Photobiology | | | 2021 | 423 | 511 |
|
| Frozen-Density Embedding Theory based simulations using experimental electron densities for the environment | | | | 2020 | 285 | 911 |
|
| Embedding-theory-based simulations using experimental electron densities for the environment | Acta Crystallographica. A, Foundations of Crystallography | | | 2020 | 331 | 141 |
|
| The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposure | Spectrochimica Acta. A, Molecular and Biomolecular Spectroscopy |  | | 2019 | 352 | 0 |
|
| Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory | Physical Chemistry Chemical Physics | | | 2018 | 293 | 0 |
|
| Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold | Journal of Chemical Theory and Computation | | | 2018 | 288 | 0 |
|
