Neese, Frank 1967-
Frank Neese
VIAF ID: 311106921 ( Personal )
Permalink: http://viaf.org/viaf/311106921
Preferred Forms
- 100 0 _ ‡a Frank Neese
- 100 1 _ ‡a Neese, Frank ‡d 1967-
4xx's: Alternate Name Forms (18)
Works
Title | Sources |
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Calculation of exchange couplings in the electronically excited state of molecular three-spin systems | |
Chemical Energy Storage | |
discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry | |
Efficient and accurate local approximations to coupled-electron pair approaches : an attempt to revive the pair natural orbital method | |
Efficient approximations for the ab initio calculation of nuclear magnetic resonance shielding tensors | |
Electronic structure and spectroscopy of novel copper chromophores in biology | |
Electronic Structure Studies of Iron-Sulfur Clusters: from Model Compounds to the Active Site of Nitrogenase | |
Identification of a spin-coupled Mo(III) in the nitrogenase iron-molybdenum cofactor | |
Metal and ligand hyperfine couplings in transition metal complexes : the effect of spin-orbit coupling as studied by coupled perturbed Kohn-Sham theory | |
Molybdenum L-edge XAS spectra of MoFe nitrogenase | |
Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree-Fock and Kohn-Sham theory | |
Spectroscopy and photochemistry of transition metal complexes a quantum chemical study | |
A spectroscopy oriented configuration interaction procedure | |
Spin-chemical effects on intramolecular photoinduced charge transfer reactions in bisphenanthroline copper(i)-viologen dyad assemblies | |
Über chemische Trends in Übergangsmetallkomplexen | |
What is not required to make a single molecule magnet |