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Physical Chemistry Chemical Physics : PCCP|August 30, 2024
Extensive reference set and refined computational protocol for calculations of 57Fe Mössbauer parametersGolokesh Santra, Frank Neese, Dimitrios A PantazisJournal of Chemical Theory and Computation|August 8, 2024
Combined Multireference-Multiscale Approach to the Description of Photosynthetic Reaction CentersMaria Drosou, Sinjini Bhattacharjee, Dimitrios A PantazisJournal of Chemical Theory and Computation|February 10, 2021
How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction CenterAbhishek Sirohiwal, Frank Neese, Dimitrios A PantazisJournal of the American Chemical Society|January 23, 2019
Microsolvation of the Redox-Active Tyrosine-D in Photosystem II: Correlation of Energetics with EPR Spectroscopy and Oxidation-Induced Proton TransferAbhishek Sirohiwal, Frank Neese, Dimitrios A PantazisAnnual Review of Biochemistry|March 27, 2020
Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL DataNicholas Cox, Dimitrios A Pantazis, Wolfgang LubitzJournal of the American Chemical Society|October 9, 2020
Protein Matrix Control of Reaction Center Excitation in Photosystem IIAbhishek Sirohiwal, Frank Neese, Dimitrios A PantazisJournal of Chemical Theory and Computation|November 24, 2015
A Hierarchy of Methods for the Energetically Accurate Modeling of Isomerism in MonosaccharidesW M C Sameera, Dimitrios A PantazisJournal of the American Chemical Society|March 27, 2013
On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalystsVera Krewald, Frank Neese, Dimitrios A PantazisJournal of Chemical Theory and Computation|February 4, 2016
Improved Segmented All-Electron Relativistically Contracted Basis Sets for the LanthanidesDaniel Aravena, Frank Neese, Dimitrios A PantazisChemical Science|September 15, 2023
Triplet states in the reaction center of Photosystem IISinjini Bhattacharjee, Frank Neese, Dimitrios A PantazisPageof 18