Study of the diradicaloid character in a prototypical pancake-bonded dimer: the stacked tetracyanoethylene (TCNE) anion dimer and the neutral K(2)TCNE(2) complex.
about
Double pancake bonds: pushing the limits of strong π-π stacking interactionsPolyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study.Effect of the diradical character on static polarizabilities and two-photon absorption cross sections: A closer look with spin-flip equation-of-motion coupled-cluster singles and doubles method.A comparison of neutral and charged species of one- and two-dimensional models of graphene nanoribbons using multireference theory.Pancake Bond Orders of a Series of π-Stacked Triangulene Radicals.Validation of density functionals for pancake-bonded π-dimers; dispersion is not enough.Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps.New tools for the systematic analysis and visualization of electronic excitations. I. Formalism.Concave or convex π-dimers: the role of the pancake bond in substituted phenalenyl radical dimers.Formation of Long, Multicenter π-[TCNE]22- Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations.Hetero-π-Dimers of Phenalenyls
P2860
Q34282585-401809ED-FD3C-4E83-ADAD-40E3D94EDCE1Q36681636-5ADB9657-240F-4D42-AA9E-4E3475CDCB74Q45962066-11CFCEC3-F43D-42FF-9C5D-A115A4AA4077Q46775389-5804330E-F68D-4572-AE20-1F0581CBE0EAQ48060303-7B8E1364-B0BF-426E-A8AD-4F1A5FD783F4Q50227362-1675741B-FD8D-49E5-AEC4-48C2A752B908Q50560286-F87871E4-4725-4568-9D86-3160C90CA8CBQ51066943-03008B69-7DF2-4926-9B96-9C62F258218AQ53562617-A0E97531-3698-490E-89CA-823038EDE589Q54429246-1BCF2ECE-7BB7-438D-B4C0-A2E85FCC25F8Q57555098-F0F05CCD-D015-4FB4-B41F-FB9762294191
P2860
Study of the diradicaloid character in a prototypical pancake-bonded dimer: the stacked tetracyanoethylene (TCNE) anion dimer and the neutral K(2)TCNE(2) complex.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年学术文章
@wuu
2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
@zh-sg
2013年學術文章
@yue
2013年學術文章
@zh
2013年學術文章
@zh-hant
name
Study of the diradicaloid char ...... e neutral K(2)TCNE(2) complex.
@en
Study of the diradicaloid char ...... the stacked tetracyanoethylene
@nl
type
label
Study of the diradicaloid char ...... e neutral K(2)TCNE(2) complex.
@en
Study of the diradicaloid char ...... the stacked tetracyanoethylene
@nl
prefLabel
Study of the diradicaloid char ...... e neutral K(2)TCNE(2) complex.
@en
Study of the diradicaloid char ...... the stacked tetracyanoethylene
@nl
P2093
P2860
P356
P1433
P1476
Study of the diradicaloid char ...... he neutral K(2)TCNE(2) complex
@en
P2093
Hans Lischka
Thomas Mueller
Zhong-hua Cui
P2860
P304
P356
10.1002/CPHC.201300784
P577
2013-11-20T00:00:00Z