Towards an accurate and computationally-efficient modelling of Fe(II)-based spin crossover materials.
about
Nuclear inelastic scattering and density functional theory studies of a one-dimensional spin crossover [Fe(1,2,4-triazole)2(1,2,4-triazolato)](BF4) molecular chain.Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach.Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulation.Origin of Bistability in the Butyl-Substituted Spirobiphenalenyl-Based Neutral Radical Material.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.Evidence of crystal packing effects in stabilizing high or low spin states of iron(ii) complexes with functionalized 2,6-bis(pyrazol-1-yl)pyridine ligands.Influence of the dipolar interactions on the relative stability in spin crossover systems.
P2860
Q38681715-F8FD1589-3814-4A00-808E-9280FFE3A5E2Q38757130-2210BA1F-25FE-4A37-9279-807CC5848C03Q41825093-D0760827-F884-46A7-B640-03FB0FBB303DQ48043011-1159231C-F875-40F8-B12E-B23323C25522Q48049647-565BF742-B929-4014-905F-610C3FCA4768Q48150783-EE70D0EF-8264-4091-BBA5-E14CA74EB2B9Q52801643-D294768E-16CF-4A13-8554-FDF05D6D0480
P2860
Towards an accurate and computationally-efficient modelling of Fe(II)-based spin crossover materials.
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
Towards an accurate and comput ...... ased spin crossover materials.
@en
type
label
Towards an accurate and comput ...... ased spin crossover materials.
@en
prefLabel
Towards an accurate and comput ...... ased spin crossover materials.
@en
P2860
P356
P1476
Towards an accurate and comput ...... based spin crossover materials
@en
P2093
Jordi Ribas-Arino
Vincent Robert
P2860
P304
16306-16314
P356
10.1039/C5CP02502H
P407
P577
2015-06-04T00:00:00Z