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Theoretical Study on Thermal Structural Fluctuation Effects of Intermolecular Configurations on Singlet Fission in Pentacene Crystal Models

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-03, Vol.127 (8), p.1883-1893

2023

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Vibronic coupling density analysis and quantum dynamics simulation for singlet fission in pentacene and its halogenated derivatives

The Journal of chemical physics, 2020-10, Vol.153 (13), p.134302-134302

2020

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Molecular Design Principle for Efficient Singlet Fission Based on Diradical Characters and Exchange Integrals: Multiple Heteroatom Substitution Effect on Anthracenes

Journal of physical chemistry. C, 2020-06, Vol.124 (22), p.11800-11809

2020

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Theoretical Molecular Design of Phenanthrenes for Singlet Fission by Diazadibora-Substitution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-08, Vol.124 (34), p.6778-6789

2020

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Quantum design for singlet-fission-induced nonlinear optical systems: Effects of π-conjugation length and molecular packing of butterfly-shaped acenes

The Journal of chemical physics, 2020-08, Vol.153 (8), p.084304-084304

2020

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Theoretical study on the effect of applying an external static electric field on the singlet fission dynamics of pentacene dimer models

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (2), p.11624-11634

2021

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Quantum Master Equation Approach to Singlet Fission Dynamics in Pentacene Linear Aggregate Models: Size Dependences of Excitonic Coupling Effects

Journal of computational chemistry, 2019-01, Vol.40 (1), p.89-104

2019

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Theoretical Study of Non-Markov Effects on Singlet Fission Dynamics of Model Pentacene Dimers Using the Second-Order Time-Convolutionless Quantum Master Equation Method

Journal of physical chemistry. C, 2020-06, Vol.124 (23), p.12220-12229

2020

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Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates

Molecules (Basel, Switzerland), 2019-02, Vol.24 (3), p.541

2019

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Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubes

Nanoscale, 2018-01, Vol.10 (35), p.16499-16507

2018

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Theoretical Study on Third-Order Nonlinear Optical Property of One-Dimensional Cyclic Thiazyl Radical Aggregates: Intermolecular Distance, Open-Shell Nature, and Spin State Dependences

Journal of physical chemistry. C, 2018-03, Vol.122 (12), p.6779-6785

2018

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Evaluation of Aromaticity for Open‐Shell Singlet Dicyclopenta‐Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Chemistry : a European journal, 2018-09, Vol.24 (51), p.13457-13466

2018

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Tunability of Open‐Shell Character, Charge Asymmetry, and Third‐Order Nonlinear Optical Properties of Covalently Linked (Hetero)Phenalenyl Dimers

Chemistry : a European journal, 2018-02, Vol.24 (8), p.1913-1921

2018

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Singlet-Fission-Induced Enhancement of Third-Order Nonlinear Optical Properties of Pentacene Dimers

ACS omega, 2019-10, Vol.4 (14), p.16181-16190

2019

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Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings

Asian journal of organic chemistry, 2018-11, Vol.7 (11), p.2320-2329

2018

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Theoretical Study on Third-Order Nonlinear Optical Properties for One-Hole-Doped Diradicaloids

ACS omega, 2021-02, Vol.6 (4), p.3046-3059

2021

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Effects of introducing nitrogen atoms into oligoacene skeleton on vibronic coupling and singlet fission dynamics

Chemical physics letters, 2023-02, Vol.813, p.140311, Article 140311

2023

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Breakdown of the Perturbative Approach to Molecular Packing Dependence of Singlet Fission Rates in Pentacene Dimer Models: A Systematic Comparison with the Quantum Master Equation Approach

Journal of physical chemistry. C, 2019-06, Vol.123 (25), p.15403-15411

2019

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Frontispiece: Evaluation of Aromaticity for Open‐Shell Singlet Dicyclopenta‐Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Chemistry : a European journal, 2018-09, Vol.24 (51), p.n/a

2018

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Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8nr03009j

2018-09

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Cover Feature: Theoretical Study on Open‐Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π‐Stacked Dimers Composed of Weak Open‐Shell Antiaromatic Porphyrins (ChemPhysChem 21/2018)

Chemphyschem, 2018-11, Vol.19 (21), p.2807-2807

2018

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Corrigendum: Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings

Asian journal of organic chemistry, 2019-06, Vol.8 (6), p.916-916

2019

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Theoretical Study on Open‐Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π‐Stacked Dimers Composed of Weak Open‐Shell Antiaromatic Porphyrins

Chemphyschem, 2018-11, Vol.19 (21), p.2863-2871

2018

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Cover Feature: Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings (Asian J. Org. Chem. 11/2018)

Asian journal of organic chemistry, 2018-11, Vol.7 (11), p.2128-2128

2018

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Theoretical study on the gigantic effect of external static electric field application on the nonlinear optical properties of 1,2,3,5-dithiadiazolyl π-radical dimers

Materials chemistry frontiers, 2018-01, Vol.2 (4), p.785-790

2018

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Theoretical Study on Thermal Structural Fluctuation Effects of Intermolecular Configurations on Singlet Fission in Pentacene Crystal Models

Vibronic coupling density analysis and quantum dynamics simulation for singlet fission in pentacene and its halogenated derivatives

Molecular Design Principle for Efficient Singlet Fission Based on Diradical Characters and Exchange Integrals: Multiple Heteroatom Substitution Effect on Anthracenes

Theoretical Molecular Design of Phenanthrenes for Singlet Fission by Diazadibora-Substitution

Quantum design for singlet-fission-induced nonlinear optical systems: Effects of π-conjugation length and molecular packing of butterfly-shaped acenes

Theoretical study on the effect of applying an external static electric field on the singlet fission dynamics of pentacene dimer models

Quantum Master Equation Approach to Singlet Fission Dynamics in Pentacene Linear Aggregate Models: Size Dependences of Excitonic Coupling Effects

Theoretical Study of Non-Markov Effects on Singlet Fission Dynamics of Model Pentacene Dimers Using the Second-Order Time-Convolutionless Quantum Master Equation Method

Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates

Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubes

Theoretical Study on Third-Order Nonlinear Optical Property of One-Dimensional Cyclic Thiazyl Radical Aggregates: Intermolecular Distance, Open-Shell Nature, and Spin State Dependences

Evaluation of Aromaticity for Open‐Shell Singlet Dicyclopenta‐Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Tunability of Open‐Shell Character, Charge Asymmetry, and Third‐Order Nonlinear Optical Properties of Covalently Linked (Hetero)Phenalenyl Dimers

Singlet-Fission-Induced Enhancement of Third-Order Nonlinear Optical Properties of Pentacene Dimers

Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings

Theoretical Study on Third-Order Nonlinear Optical Properties for One-Hole-Doped Diradicaloids

Effects of introducing nitrogen atoms into oligoacene skeleton on vibronic coupling and singlet fission dynamics

Breakdown of the Perturbative Approach to Molecular Packing Dependence of Singlet Fission Rates in Pentacene Dimer Models: A Systematic Comparison with the Quantum Master Equation Approach

Frontispiece: Evaluation of Aromaticity for Open‐Shell Singlet Dicyclopenta‐Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8nr03009j

Cover Feature: Theoretical Study on Open‐Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π‐Stacked Dimers Composed of Weak Open‐Shell Antiaromatic Porphyrins (ChemPhysChem 21/2018)

Corrigendum: Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings

Theoretical Study on Open‐Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π‐Stacked Dimers Composed of Weak Open‐Shell Antiaromatic Porphyrins

Cover Feature: Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings (Asian J. Org. Chem. 11/2018)

Theoretical study on the gigantic effect of external static electric field application on the nonlinear optical properties of 1,2,3,5-dithiadiazolyl π-radical dimers

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