Publications of Abhishek Sirohiwal

Sirohiwal, A.; Pantazis, D. A.: Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles. Accounts of Chemical Research 56 (21), pp. 2921 - 2932 (2023)

Capone, M.; Sirohiwal, A.; Aschi, M.; Pantazis, D. A.; Daidone, I.: Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem II. Angewandte Chemie International Edition 62 (16), e202216276 (2023)

Sirohiwal, A.; Pantazis, D. A.: Functional Water Networks in Fully Hydrated Photosystem II. Journal of the American Chemical Society 144 (48), pp. 22035 - 22050 (2022)

Sirohiwal, A.; Pantazis, D. A.: The Electronic Origin of Far-Red-Light-Driven Oxygenic Photosynthesis. Angewandte Chemie International Edition 61 (16), e202200356 (2022)

Sirohiwal, A.; Pantazis, D. A.: Electrostatic profiling of photosynthetic pigments: implications for directed spectral tuning. Physical Chemistry Chemical Physics 23 (43), pp. 24677 - 24684 (2021)

Sirohiwal, A.; Neese, F.; Pantazis, D. A.: Chlorophyll excitation energies and structural stability of the CP47 antenna of photosystem II: a case study in the first-principles simulation of light-harvesting complexes. Chemical Science 12 (12), pp. 4463 - 4476 (2021)

Sirohiwal, A.; Neese, F.; Pantazis, D. A.: How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center. Journal of Chemical Theory and Computation 17 (3), pp. 1858 - 1873 (2021)

Sirohiwal, A.; Neese, F.; Pantazis, D. A.: Protein Matrix Control of Reaction Center Excitation in Photosystem II. Journal of the American Chemical Society 142 (42), pp. 18174 - 18190 (2020)

Sirohiwal, A.; Berraud-Pache, R.; Neese, F.; Izsák, R.; Pantazis, D. A.: Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods. The Journal of Physical Chemistry B 124 (40), pp. 8761 - 8771 (2020)

Sirohiwal, A.; Neese, F.; Pantazis, D. A.: Microsolvation of the Redox-Active Tyrosine-D in Photosystem II: Correlation of Energetics with EPR Spectroscopy and Oxidation-Induced Proton Transfer. Journal of the American Chemical Society 141 (7), pp. 3217 - 3231 (2019)