The multiradical character of one- and two-dimensional graphene nanoribbons.
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Ionic liquid promoted synthesis of conjugated carbon nitride photocatalysts from urea.Double pancake bonds: pushing the limits of strong π-π stacking interactionsToward cove-edged low band gap graphene nanoribbons.Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study.A method for controlling the synthesis of stable twisted two-dimensional conjugated molecules.Preserving the edge magnetism of zigzag graphene nanoribbons by ethylene termination: insight by Clar's rule.Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study.Electronic Properties of Cyclacenes from TAO-DFT.The longest acenes.Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems.Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint.Tuning aromaticity patterns and electronic properties of armchair graphene nanoribbons with chemical edge functionalisation.Nitrogen-fixation catalyst based on graphene: every part counts.From Graphene to Carbon Nanotubes: Variation of the Electronic States and Nonlinear Optical Responses.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 of ground and excited electronic states by ensemble density functional method with extended active space.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.Breaking Bonds and Forming Nanographene Diradicals with Pressure.Electronic structure of graphene nanoribbons doped with nitrogen atoms: a theoretical insight.A comparison of neutral and charged species of one- and two-dimensional models of graphene nanoribbons using multireference theory.Diradical character from the local spin analysis.Benzenoid Quinodimethanes.Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbons.Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations.How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen.Density-matrix renormalization group algorithm with multi-level active space.Carbon Tetragons as Definitive Spin Switches in Narrow Zigzag Graphene Nanoribbons.New tools for the systematic analysis and visualization of electronic excitations. I. Formalism.Even-odd product variation of the C(n)(+) + D(2) (n = 4-9) reaction: complexity of the linear carbon cation electronic states.Concave or convex π-dimers: the role of the pancake bond in substituted phenalenyl radical dimers.π-Extended Star-Shaped Polycyclic Aromatic Hydrocarbons based on Fused Truxenes: Synthesis, Self-Assembly, and Facilely Tunable Emission Properties.A practicable real-space measure and visualization of static electron-correlation effects.Repurposing of oxazolone chemistry: gaining access to functionalized graphene nanosheets in a top-down approach from graphite.A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using multireference theoryModulation of the exfoliated graphene work function through cycloaddition of nitrile iminesOne-pot synthesis of carbon nanoribbons and their enhanced lithium storage performance
P2860
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P2860
The multiradical character of one- and two-dimensional graphene nanoribbons.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
The multiradical character of one- and two-dimensional graphene nanoribbons.
@en
type
label
The multiradical character of one- and two-dimensional graphene nanoribbons.
@en
prefLabel
The multiradical character of one- and two-dimensional graphene nanoribbons.
@en
P2093
P2860
P50
P356
P1476
The multiradical character of one- and two-dimensional graphene nanoribbons.
@en
P2093
Hans Lischka
Hasan Pašalić
Joachim Burgdörfer
Rafael Reiter
Ron Shepard
Thomas Müller
P2860
P304
P356
10.1002/ANIE.201207671
P407
P577
2013-01-28T00:00:00Z