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Crystallographic and computational characterization and in silico target fishing of six aromatic and aliphatic sulfonamide derivatives

Synthesis, crystal and molecular structure of catena-(bis(μ1-oxalic acid)-μ3-hydrogen oxalate-di-aqua-sodium(I))

Al and Ti location in the MFI orthorhombic HZSM-5 framework. DFT calculation and neutron diffraction experiment

Structure and properties of some S-containing azo-derivatives of 5-pyrazolone and their Cu(II), Co(II), and Ni(II) metal complexes

Quantum chemical modeling of exchange coupling in the magnetic sublattice of bifunctional compounds.

Exchange interactions of Мo with transition metals in complexes with dithiooxamide

Computational, Structural and Spectroscopic Investigations of Two Polymorphs of 5,7‐Dinitro‐8‐(N ‐phenylamino)Quinoline

Quantum-chemical modeling of exchange coupling in the magnetic sublattice of bifunctional compounds containing heterometallic complexes of 3d and 4d metals with oxalate and dithiooxamide ligands

Transitions from Stable to Metastable States in the Cr2On and Cr2On– Series, n = 1 – 14

Quantum chemical investigations of Cr2On and Cr2O-series (n=1-14)

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