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 2023, 56, 2921–2932.

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 2023, 62, e202216276.

Sirohiwal, A.; Pantazis, D. A. Functional Water Networks in Fully Hydrated Photosystem II. Journal of the American Chemical Society 2022, 144, 22035–22050.

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

Sirohiwal, A.; Pantazis, D. A. Electrostatic Profiling of Photosynthetic Pigments: Implications for Directed Spectral Tuning. Physical Chemistry Chemical Physics 2021, 23, 24677–24684.

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 2021, 12, 4463–4476.

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 2021, 17, 1858–1873.

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

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 2020, 124, 8761–8771.

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 2019, 141, 3217–3231.