Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems.
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Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups.Computational investigation on redox-switchable nonlinear optical properties of a series of polycyclic p-quinodimethane molecules.Tunability of Open-Shell Character, Charge Asymmetricity and Third-Order Nonlinear Optical Properties of Covalently-Linked (Hetero)Phenalenyl Dimers.PPV Polymerization through the Gilch Route: Diradical Character of Monomers.Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: relationships with their aromaticity/antiaromaticity.Intermolecular modulation of IR intensities in the solid state. The role of weak interactions in polyethylene crystal: A computational DFT study.Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.Theoretical Study on the Second Hyperpolarizailities of Oligomeric Systems Composed of Carbon and Silicon π-Structures.Unravelling the dissociation pathways of acetic acid upon electron transfer in potassium collisions: experimental and theoretical studies.Tuning Nonlinear Optical Properties by Altering the Diradical and Charge-Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives.Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene-S,S-dioxide Rings.Doping-enhanced hyperpolarizabilities of silicon clusters: a global ab initio and density functional theory study of Si10 (Li, Na, K)n (n=1, 2) clusters.Third-Order Nonlinear Optical Properties of One-Dimensional Open-Shell Molecular Aggregates Composed of Phenalenyl RadicalsDiradicalology in third-order nonlinear optical systems: Second hyperpolarizabilities of acetylene-linked phenalenyl-based superpolyenesOpen-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene UnitsAssessment of the ωB97 family for excited-state calculationsComparison of a calculated and measured XANES spectrum of α-Fe2O3
P2860
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P2860
Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh-hant
name
Long-range corrected density f ...... of singlet diradical systems.
@en
Long-range corrected density f ...... of singlet diradical systems.
@nl
type
label
Long-range corrected density f ...... of singlet diradical systems.
@en
Long-range corrected density f ...... of singlet diradical systems.
@nl
prefLabel
Long-range corrected density f ...... of singlet diradical systems.
@en
Long-range corrected density f ...... of singlet diradical systems.
@nl
P2093
P2860
P50
P356
P1476
Long-range corrected density f ...... s of singlet diradical systems
@en
P2093
Edith Botek
Hideaki Takahashi
Kenji Kamada
Kyohei Yoneda
Sean Bonness
Takao Tsuneda
P2860
P304
P356
10.1063/1.3332707
P407
P577
2010-03-01T00:00:00Z