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Dmitry Ganyushin

University of Bonn

15

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1237

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2020
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Citations (1)
A fully variational spin-orbit coupled complete active space self-consistent field approach: Application to electron paramagnetic resonance g-tensors

2013 Journal of Chemical Physics
- Dmitry Ganyushin
- Frank Neese
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Citations (82)
Detailed Ab Initio First-Principles Study of the Magnetic Anisotropy in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes

2011 Inorganic Chemistry
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A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions

2011
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Citations (51)
The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters

2010 Journal of Chemical Physics
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Citations (43)
Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches

2010 Journal of Physical Chemistry A
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Citations (114)
Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(II) complexes

2009 Dalton Transactions
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Citations (53)
Exchangeable oxygens in the vicinity of the molybdenum center of the high-pH form of sulfite oxidase and sulfite dehydrogenase

2009 Physical Chemistry Chemical Physics
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Direct Detection and Characterization of Chloride in the Active Site of the Low-pH Form of Sulfite Oxidase Using Electron Spin Echo Envelope Modulation Spectroscopy, Isotopic Labeling, and Density Functional Theory Calculations

2009 Inorganic Chemistry
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First-principles calculations of magnetic circular dichroism spectra

2008 Journal of Chemical Physics
- Dmitry Ganyushin
- Frank Neese
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Citations (80)