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Publications by Frank Neese

Local Energy Decomposition Analysis of Hydrogen-Bonded Dimers Within a Domain-Based Pair Natural Orbital Coupled Cluster Study

Beilstein Journal of Organic Chemistry
Organic Chemistry
2018English

The Catalytic Mn2+Sites in the Enolase−Inhibitor Complex: Crystallography, Single-Crystal EPR, and DFT Calculations

Journal of the American Chemical Society
BiochemistryColloidCatalysisChemistrySurface Chemistry
2007English

Spectroscopy of Non-Heme Iron Thiolate Complexes: Insight Into the Electronic Structure of the Low-Spin Active Site of Nitrile Hydratase

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2005English

Density Functional Theory

Photosynthesis Research
MedicineBiochemistryPlant ScienceCell Biology
2009English

Latest Developments and Applications of Double-Hybrid Density Functionals

Chemistry Central Journal
Chemistry
2008English

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