Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes.
about
A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT).Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes.
P2860
Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes.
description
2015 nî lūn-bûn
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name
Assessment of TD-DFT and LF-DF ...... tion metal hexaaqua complexes.
@en
Assessment of TD-DFT and LF-DF ...... tion metal hexaaqua complexes.
@nl
type
label
Assessment of TD-DFT and LF-DF ...... tion metal hexaaqua complexes.
@en
Assessment of TD-DFT and LF-DF ...... tion metal hexaaqua complexes.
@nl
prefLabel
Assessment of TD-DFT and LF-DF ...... tion metal hexaaqua complexes.
@en
Assessment of TD-DFT and LF-DF ...... tion metal hexaaqua complexes.
@nl
P2860
P50
P356
P1476
Assessment of TD-DFT and LF-DF ...... tion metal hexaaqua complexes.
@en
P2860
P304
P356
10.1063/1.4922111
P407
P577
2015-06-01T00:00:00Z