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Journal 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 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 PantazisJournal 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 Computational Chemistry|June 3, 2020
All-electron scalar relativistic basis sets for the elements Rb-XeJulian D Rolfes, Frank Neese, Dimitrios A PantazisJournal of Chemical Theory and Computation|August 16, 2018
Accurate Spin-State Energetics for Aryl CarbenesReza Ghafarian Shirazi, Frank Neese, Dimitrios A PantazisInterface Focus|June 9, 2015
Artificial photosynthesis: understanding water splitting in natureNicholas Cox, Dimitrios A Pantazis, Frank Neese, et al.Inorganic Chemistry|October 24, 2014
A first-principles approach to the calculation of the on-site zero-field splitting in polynuclear transition metal complexesMarius Retegan, Nicholas Cox, Dimitrios A Pantazis, et al.Inorganic Chemistry|September 3, 2009
Magnetic and spectroscopic properties of mixed valence manganese(III,IV) dimers: a systematic study using broken symmetry density functional theoryMaylis Orio, Dimitrios A Pantazis, Taras Petrenko, et al.Pageof 61