Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects.
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cis-Tetrachlorido-bis(indazole)osmium(iv) and its osmium(iii) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339.Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6 ]2- and [IrF6 ]2.The behavior of a paramagnetic system in electric and magnetic fields as exemplified by revisiting Li@B10H14.
P2860
Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Four-Component Relativistic De ...... gher-Order Spin-Orbit Effects.
@en
type
label
Four-Component Relativistic De ...... gher-Order Spin-Orbit Effects.
@en
prefLabel
Four-Component Relativistic De ...... gher-Order Spin-Orbit Effects.
@en
P50
P356
P1476
Four-Component Relativistic De ...... igher-Order Spin-Orbit Effects
@en
P2093
Martin Kaupp
Sebastian Gohr
P304
12892-12905
P356
10.1021/ACS.JPCA.5B10996
P407
P577
2015-12-16T00:00:00Z