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Inorganic Chemistry|July 13, 2011
Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron(II) pyrrolide complexesMihail Atanasov, Dmitry Ganyushin, Dimitrios A Pantazis, et al.Journal of Chemical Theory and Computation|December 2, 2015
All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal AtomsDimitrios A Pantazis, Xian-Yang Chen, Clark R Landis, et al.Angewandte Chemie (International Ed. in English)|February 15, 2023
Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem IIMatteo Capone, Abhishek Sirohiwal, Massimiliano Aschi, et al.Inorganic Chemistry|May 3, 2021
Converged Structural and Spectroscopic Properties for Refined QM/MM Models of AzurinChristine E Schulz, Maurice van Gastel, Dimitrios A Pantazis, et al.Current Opinion in Chemical Biology|March 21, 2016
Recent developments in biological water oxidationMontserrat Pérez-Navarro, Frank Neese, Wolfgang Lubitz, et al.Angewandte Chemie (International Ed. in English)|November 21, 2024
Meta-Dimethylation of Arenes via Catellani Reaction from Aryl Thianthrenium SaltsMichał Mrozowicz, Sagnik Chatterjee, Markella Aliki Mermigki, et al.The Journal of Physical Chemistry. B|September 15, 2020
Accurate Computation of the Absorption Spectrum of Chlorophyll <i>a</i> with Pair Natural Orbital Coupled Cluster MethodsAbhishek Sirohiwal, Romain Berraud-Pache, Frank Neese, et al.Heart (British Cardiac Society)|July 15, 2006
CLimate Impacts on Myocardial infarction deaths in the Athens TErritory: the CLIMATE studyP Dilaveris, A Synetos, G Giannopoulos, et al.Journal of Chemical Theory and Computation|February 22, 2022
Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster ApproachesSinjini Bhattacharjee, Miho Isegawa, Miquel Garcia-Ratés, et al.Journal of the American Chemical Society|May 3, 2023
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?Maria Drosou, Gerard Comas-Vilà, Frank Neese, et al.Pageof 15