Articoli con mandati relativi all'accesso pubblico - Dmitry GanyushinUlteriori informazioni
Non disponibili pubblicamente: 3
Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities
F Neese, T Petrenko, D Ganyushin, G Olbrich
Coordination Chemistry Reviews 251 (3-4), 288-327, 2007
Mandati: German Research Foundation
Theoretical determination of the zero-field splitting in copper acetate monohydrate
R Maurice, K Sivalingam, D Ganyushin, N Guihery, C de Graaf, F Neese
Inorganic Chemistry 50 (13), 6229-6236, 2011
Mandati: German Research Foundation, Government of Spain
Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co (II) complexes
M Sundararajan, D Ganyushin, S Ye, F Neese
Dalton Transactions, 6021-6036, 2009
Mandati: German Research Foundation
Disponibili pubblicamente: 9
Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron (II) pyrrolide complexes
M Atanasov, D Ganyushin, DA Pantazis, K Sivalingam, F Neese
Inorganic Chemistry 50 (16), 7460-7477, 2011
Mandati: German Research Foundation
A Multiconfigurational ab Initio Study of the Zero-Field Splitting in the Di-and Trivalent Hexaquo− Chromium Complexes
DG Liakos, D Ganyushin, F Neese
Inorganic chemistry 48 (22), 10572-10580, 2009
Mandati: German Research Foundation
The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters
D Ganyushin, N Gilka, PR Taylor, CM Marian, F Neese
The Journal of chemical physics 132 (14), 2010
Mandati: German Research Foundation
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 …
EL Klein, AV Astashkin, D Ganyushin, C Riplinger, K Johnson-Winters, ...
Inorganic chemistry 48 (11), 4743-4752, 2009
Mandati: US National Institutes of Health, German Research Foundation
Exchangeable oxygens in the vicinity of the molybdenum center of the high-pH form of sulfite oxidase and sulfite dehydrogenase
AV Astashkin, EL Klein, D Ganyushin, K Johnson-Winters, F Neese, ...
Physical Chemistry Chemical Physics 11 (31), 6733-6742, 2009
Mandati: US National Institutes of Health, German Research Foundation
Improving I/O performance for exascale applications through online data layout reorganization
L Wan, A Huebl, J Gu, F Poeschel, A Gainaru, R Wang, J Chen, X Liang, ...
IEEE Transactions on Parallel and Distributed Systems 33 (4), 878-890, 2021
Mandati: US Department of Energy, Federal Ministry of Education and Research, Germany
Visualization as a service for scientific data
D Pugmire, J Kress, J Chen, H Childs, J Choi, D Ganyushin, B Geveci, ...
Driving scientific and engineering discoveries through the convergence of …, 2020
Mandati: US Department of Energy
Optimizing Metadata Exchange: Leveraging DAOS for ADIOS Metadata I/O
RS Venkatesh, G Eisenhauer, N Podhorszki, D Ganyushin, S Klasky, ...
ISC High Performance 2024 Research Paper Proceedings (39th International …, 2024
Mandati: UK Engineering and Physical Sciences Research Council, UK Science and …
Understanding and Leveraging the I/O Patterns of Emerging Machine Learning Analytics
A Gainaru, D Ganyushin, B Xie, T Kurc, J Saltz, S Oral, N Podhorszki, ...
Smoky Mountains Computational Sciences and Engineering Conference, 119-138, 2021
Mandati: US Department of Energy, Federal Ministry of Education and Research, Germany
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