Keywords: نظریه میدان لیگاند; Chromium; Spin-flip; Ligand field theory; Luminescence; Excited state dynamics; Ligand bite angle;
مقالات ISI نظریه میدان لیگاند (ترجمه نشده)
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Keywords: نظریه میدان لیگاند; Borochromate glasses; FT-IR spectroscopy; UV–VIS optical absorption; Ligand field theory; Optical basicity; EPR spectra
Novel identification of ultraviolet/visible Cr6+/Cr3+ optical transitions in borate glasses
Keywords: نظریه میدان لیگاند; Borate glasses; Chromium hexavalent; Ligand field theory; UV-Visible optical devices; ESR; FTIR;
Covalency and chemical bonding in transition metal complexes: An ab initio based ligand field perspective
Keywords: نظریه میدان لیگاند; Transition metal complexes; Ab initio quantum chemistry; Ligand field theory; Metal-ligand bonding; Absorption spectroscopy; Crystal field theory; Angular overlap model (AOM); Ab initio ligand field theory (AILFT); Complete active space self-consistent fi
Multidentate N-heterocyclic carbene complexes of the 3d metals: Synthesis, structure, reactivity and catalysis
Keywords: نظریه میدان لیگاند; δ; Chemical shift; 1D; One dimension; 2D; Two dimensions; Ac; Acetate; Acac; Acetylacetonate; Ad; Adamantyl; Ar; Aryl; BARF; Tetrakis(3,5-di-trifluoromethylphenyl)borate); Bipy; 2,2â²-bipyridine; Bu; Butyl; Bn; Benzyl; COD; Cyclooctadiene; COE; Cyclooct
Circular dichroism of tris chelates with planar conjugate ligands described by angular overlap model and calculated by time dependent density functional theory
Keywords: نظریه میدان لیگاند; Coordination entities; D3 point group; Circular dichroism; Ligand field theory; Angular overlap model; Density functional theory
Outer sphere coordination chemistry: Unusual six-coordinate silver(I) complexes with tri-halide–iridium(III) complexes as ligands
Keywords: نظریه میدان لیگاند; Outer sphere coordination; Silver(I); Iridium; Ligand field theory
Theoretical studies of the spin-Hamiltonian parameters of the oxycation MoO3+ in (NH4)2MoOCl5 and K2MoOF5 single crystals
Keywords: نظریه میدان لیگاند; Charge transfer mechanism; High-order perturbation; Spin-Hamiltonian parameters; Oxycation MoO3+; Ligand field theory
Theoretical studies of spin-Hamiltonian parameters of Mo5+ ion doped in K2SnCl6 crystal
Keywords: نظریه میدان لیگاند; Charge transfer mechanism; Defect structure; [MoCl6]−1 cluster; Ligand field theory
Effect of halides addition on the ligand field of chromium in alkali borate glasses
Keywords: نظریه میدان لیگاند; Borate glasses; Transition metal; Halides; Optical basicity; Ligand field theory; Optical band gap and tails energies
Slow magnetic relaxation in the tetrahedral cobalt(II) complexes [Co(EPh)4]2− (EO, S, Se)
Keywords: نظریه میدان لیگاند; Single-molecule magnets; Zero-field splitting; Ligand field theory
New insights in the bonding regime and ligand field in Wernerian complexes. A density functional study
Keywords: نظریه میدان لیگاند; Ligand field theory; Stabilization energy; Density functional theory; Energy decomposition analysis; Orbital effects; Electronegativity equalization
ESR and ligand field theory studies of Nd2O3 doped borochoromate glasses
Keywords: نظریه میدان لیگاند; Borochromate glasses; Rare earth; ESR; Ligand field theory; Infrared spectra
Spectroscopic studies on Pb3O4–ZnO–P2O5 glasses doped with transition metal ions
Keywords: نظریه میدان لیگاند; Transition metal ions; Lead zinc phosphate glass; Electron Paramagnetic Resonance; Optical absorption spectroscopy; Ligand field theory; Bonding nature
Electronic structure and photophysics of pseudo-octahedral vanadium(III) oxo complexes
Keywords: نظریه میدان لیگاند; Vanadium(III); Zero-field splittings; Ligand field spectroscopy; Jahn–Teller (JT) distortion; Ligand field theory
Jahn–Teller coupling and the influence of strain in Tg and Eg ground and excited states – A ligand field and DFT study on halide MIIIX6 model complexes [M = TiIII–CuIII; X = F−, Cl−]
Keywords: نظریه میدان لیگاند; Jahn–Teller coupling; T and E ground states; Density-functional calculations; Strain effects; 3dn–MIII cations; Halide ligands; Ligand field theory
Cyanometalate-bridged oligonuclear transition metal complexes—Possibilities for a rational design of SMMs
Keywords: نظریه میدان لیگاند; Molecular magnetism; Single-molecule magnet (SMM); Magnetic exchange; Magnetic anisotropy; Hexacyanometalate; Ligand field theory; DFT
Computation of structures and properties of transition metal compounds
Keywords: نظریه میدان لیگاند; Molecular structure; Electronic structure; Spectroscopy; Molecular magnetism; Transition state; Molecular mechanics; DFT; Ligand field theory
Molecular modelling for transition metal complexes: Dealing with d-electron effects
Keywords: نظریه میدان لیگاند; Ligand field theory; Molecular mechanics; Jahn–Teller; Spin states; Copper enzymes
Structural variation in the copper(II) complexes with a tetradentate bis-6-methylpyridine-substituted bispidine ligand
Keywords: نظریه میدان لیگاند; Jahn-Teller distortion; Isomers; Mexican hat potential; Spectroscopy; DFT; Ligand field theory; Distorsion de Jahn-Teller; Isomères; Potentiel de « chapeau mexicain »; Spectroscopie; DFT; Théorie du champ de ligands;