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The Journal of Chemical Physics|July 25, 2018
Accurate spin-densities based on the domain-based local pair-natural orbital coupled-cluster theoryMasaaki Saitow, Frank NeeseInorganic Chemistry|July 15, 2015
Distal Histidine Modulates the Unusual O-Binding of Nitrite to Myoglobin: Evidence from the Quantum Chemical Analysis of EPR ParametersMahesh Sundararajan, Frank NeeseBiochimica Et Biophysica Acta|March 17, 2011
The electronic structures of the S(2) states of the oxygen-evolving complexes of photosystem II in plants and cyanobacteria in the presence and absence of methanolJi-Hu Su, Nicholas Cox, William Ames, et al.Journal of the American Chemical Society|August 26, 2014
Electronic structural flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteinsHannah S Shafaat, Julia J Griese, Dimitrios A Pantazis, et al.Angewandte Chemie (International Ed. in English)|October 8, 2020
Arrested Substrate Binding Resolves Catalytic Intermediates in Higher-Plant Water OxidationGeorgia Zahariou, Nikolaos Ioannidis, Yiannis Sanakis, et al.The Journal of Physical Chemistry. B|April 3, 2025
Ammonia Binding to the Oxygen-Evolving Complex Probed by High-Energy Resolution Fluorescence Detected X-Ray Absorption SpectroscopyMaria Chrysina, Maria Drosou, Dimitrios A Pantazis, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 17, 2020
Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling ConstantsRogelio J Gómez-Piñeiro, Dimitrios A Pantazis, Maylis OrioChemical Science|May 17, 2024
Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulationsSinjini Bhattacharjee, Srilatha Arra, Isabella Daidone, et al.Dalton Transactions (Cambridge, England : 2003)|January 25, 2008
A re-evaluation of the two-step spin crossover in the trinuclear cation [Co3(dipyridylamido)4Cl2]+Dimitrios A Pantazis, Carlos A Murillo, John E McGradyPhysical Chemistry Chemical Physics : PCCP|April 4, 2025
Analyzing spectral distributions of charge transfer character in ensembles: a case study on the reaction center of photosystem IIAdam Šrut, Sinjini Bhattacharjee, Dimitrios A Pantazis, et al.Pageof 61