Second hyperpolarizability (gamma) of singlet diradical system: dependence of gamma on the diradical character.
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Spontaneous Formation of an Air-Stable Radical upon the Direct Fusion of Diphenylmethane to a Triarylporphyrin.Multiphoton harvesting metal-organic frameworks.Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study.Pro-aromatic and anti-aromatic π-conjugated molecules: an irresistible wish to be diradicals.Open-Shell-Character-Based Molecular Design Principles: Applications to Nonlinear Optics and Singlet Fission.Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials.Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint.The symmetric and asymmetric thiophene-fused benzocarborane: structures and first hyperpolarizabilities.Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals.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.Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems.Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives.Finite-field method with unbiased polarizable continuum model for evaluation of the second hyperpolarizability of an open-shell singlet molecule in solvents.Structures and nonlinear optical properties of the endohedral metallofullerene-superhalogen compounds Li@C60-BX4 (X = F, Cl, Br).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.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.Entropy-controlled biradical-quinoid isomerization of a π-conjugated delocalized biradical.Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: relationships with their aromaticity/antiaromaticity."Dancing inside the ball": the structures and nonlinear optical properties of three Sc2S@C3v(8)-C82 isomers.The Fractional Occupation Number Weighted Density as a Versatile Analysis Tool for Molecules with a Complicated Electronic Structure.All-metal electride molecules CuAg@Ca7M (M = Be, Mg, and Ca) with multi-excess electrons and all-metal polyanions: molecular structures and bonding modes as well as large infrared nonlinear optical responses.Relationship between third-order nonlinear optical properties and magnetic interactions in open-shell systems: a new paradigm for nonlinear optics.Tuning Nonlinear Optical Properties by Altering the Diradical and Charge-Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives.Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character.Theoretical Study of the Substituent Effects on the Nonlinear Optical Properties of a Room-Temperature-Stable Organic Electride.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.Application of the quasi-variational coupled cluster method to the nonlinear optical properties of model hydrogen systems.Theoretical study on the relationship between diradical character and second hyperpolarizabilities of four-membered-ring diradicals involving heavy main-group elements.Stable 2D anti-ferromagnetically coupled fluorenyl radical dendrons.Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity.Resonant Raman spectra of molecules with diradical character: multiconfigurational wavefunction investigation of neutral viologensPhenalenyl-Based Open-Shell Polycyclic Aromatic HydrocarbonsThird-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 superpolyenesExperimental consideration of covalent-bonding interactions in stacks of singlet biradicals having Kekulé structuresOpen-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene UnitsGiant electric field effect on the second hyperpolarizability of symmetric singlet diradical molecules
P2860
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P2860
Second hyperpolarizability (gamma) of singlet diradical system: dependence of gamma on the diradical character.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Second hyperpolarizability (ga ...... ma on the diradical character.
@en
Second hyperpolarizability
@nl
type
label
Second hyperpolarizability (ga ...... ma on the diradical character.
@en
Second hyperpolarizability
@nl
prefLabel
Second hyperpolarizability (ga ...... ma on the diradical character.
@en
Second hyperpolarizability
@nl
P2093
P50
P356
P1476
Second hyperpolarizability (ga ...... mma on the diradical character
@en
P2093
Edith Botek
Kazuhiro Nakasuji
Kenji Kamada
Kizashi Yamaguchi
Tomoshige Nitta
P304
P356
10.1021/JP046322X
P407
P577
2005-02-01T00:00:00Z