Frontiers in multiscale modeling of photoreceptor proteins M Mroginski, S Adam, GS Amoyal, A Barnoy, A Bondar, VA Borin, ... Photochemistry and photobiology 97 (2), 243-269, 2021 | 31 | 2021 |
Benchmark of excitation energy shifts from frozen-density embedding theory: introduction of a density-overlap-based applicability threshold A Zech, N Ricardi, S Prager, A Dreuw, TA Wesolowski Journal of chemical theory and computation 14 (8), 4028-4040, 2018 | 23 | 2018 |
The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposure RD Ortuso, N Ricardi, T Bürgi, TA Wesolowski, K Sugihara Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 219, 23-32, 2019 | 20 | 2019 |
Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory N Ricardi, A Zech, Y Gimbal-Zofka, TA Wesolowski Physical Chemistry Chemical Physics 20 (41), 26053-26062, 2018 | 20 | 2018 |
Embedding-theory-based simulations using experimental electron densities for the environment N Ricardi, M Ernst, P Macchi, TA Wesolowski Acta Crystallographica Section A: Foundations and Advances 76 (5), 571-579, 2020 | 15 | 2020 |
N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization N Ricardi, CE González-Espinoza, TA Wesołowski The Journal of Chemical Physics 157 (6), 2022 | 5 | 2022 |
Embedding nonrigid solutes in an averaged environment: a case study on rhodopsins N Ricardi, CE González-Espinoza, S Adam, JR Church, I Schapiro, ... Journal of Chemical Theory and Computation 19 (15), 5289-5302, 2023 | 4 | 2023 |
The significance of negativity of the target density in Frozen-Density Embedding Theory based simulations N Ricardi, CE González-Espinoza, TA Wesołowski | | 2022 |
Frozen-Density Embedding Theory based simulations with experimental electron densities N Ricardi, M Ernst, P Macchi, TA Wesolowski arXiv preprint arXiv:2005.13409, 2020 | | 2020 |
Benchmark of excitation energy shifts from frozen-density embedding theory A Zech, N Ricardi, S Prager, A Dreuw, TA Wesolowski | | 2018 |
Frozen-Density Embedding Theory based simulations using experimental electron densities for the environment N Ricardi, M Ernst, P Macchi, TA Wesolowski, N RICARDI | | |