Monika Srebro-Hooper
0000-0003-4211-325X
Jagiellonian University, Faculty of Chemistry
41 papers found
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Ruthenium-vinylhelicenes: remote metal-based enhancement and redox switching of the chiroptical properties of a helicene core.
Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient
Influence of CH2Cl2for the structure stabilization of the NiIIcomplex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2
Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical Rotation
QTAIM and ETS-NOCV Analyses of Intramolecular CH···HC Interactions in Metal Complexes
Optical Rotation Calculated with Time-Dependent Density Functional Theory: The OR45 Benchmark
Applications of the ETS-NOCV method in descriptions of chemical reactions
Exploring a Reaction Mechanism for Acetato Ligand Replacement in Paddlewheel Tetrakisacetatodirhodium (II,II) Complex by Ammonia: Computational Density Functional Theory Study
Spin Ground State and Magnetic Properties of Cobalt(II): Relativistic DFT Calculations Guided by EPR Measurements of Bis(2,4-acetylacetonate)cobalt(II)-Based Complexes
Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S′-coordination in NiII complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2
On the nature of Ni⋯Ni interaction in a model dimeric Ni complex
Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]
On Conformational Flexibility of Half-Titanocene Catalysts with Aryloxy Ligands for High-Temperature Olefin Polymerization Processes: Static and Dynamic Theoretical Studies †
On preference of insertion mechanism in the ethylene polymerization catalyzed by half-titanocene complexes with aryloxy ligands: Static and dynamic theoretical studies
Computational Modeling of Polymerization Catalysts
Sterically Less-Hindered Half-Titanocene(IV) Phenoxides: Ancillary-Ligand Effect on Mono-, Bis-, and Tris(2-Alkyl-/arylphenoxy) Titanium(IV) Chloride Complexes
Half-Metallocene Titanium(IV) Phenyl Phenoxide for High Temperature Olefin Polymerization: Ortho-Substituent Effect at Ancillaryo-Phenoxy Ligand for Enhanced Catalytic Performance
Role of Ancillary Ligands in a Description of Copper(I)−Bis(trimethylsilyl)acetylene bonding. A Theoretical Study
Theoretical Analysis of Bonding in N-Heterocyclic Carbene−Rhodium Complexes
Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT Study
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