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Stabilization of Charge-Transfer States in Pentacene Crystals and Its Role in Singlet Fission

Journal of physical chemistry. C, 2021-02, Vol.125 (4), p.2264-2275

2021

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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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Density Analysis of Intra- and Intermolecular Vibronic Couplings toward Bath Engineering for Singlet Fission

The journal of physical chemistry letters, 2015-12, Vol.6 (24), p.4972-4977

2015

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Quantum Master Equation Approach to Singlet Fission Dynamics of Realistic/Artificial Pentacene Dimer Models: Relative Relaxation Factor Analysis

Journal of physical chemistry. C, 2016-10, Vol.120 (40), p.22803-22815

2016

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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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Interplay between Open-Shell Character, Aromaticity, and Second Hyperpolarizabilities in Indenofluorenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-10, Vol.119 (42), p.10620-10627

2015

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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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Intermolecular Packing Effects on Singlet Fission in Oligorylene Dimers

ACS omega, 2017-08, Vol.2 (8), p.5095-5103

2017

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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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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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Tuning Nonlinear Optical Properties by Altering the Diradical and Charge‐Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives

Chemphyschem, 2017-01, Vol.18 (1), p.142-148

2017

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Theoretical Study on the Second Hyperpolarizailities of Oligomeric Systems Composed of Carbon and Silicon π-Structures

Molecules (Basel, Switzerland), 2016-11, Vol.21 (11), p.1540-1540

2016

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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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Molecular design for efficient singlet fission

Journal of photochemistry and photobiology. C, Photochemistry reviews, 2018-03, Vol.34, p.85-120

2018

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Origin of the Enhancement of the Second Hyperpolarizabilities of Metal–Carbon Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-09, Vol.120 (34), p.6838-6845

2016

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Design Principles of Electronic Couplings for Intramolecular Singlet Fission in Covalently-Linked Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-08, Vol.120 (31), p.6236-6241

2016

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Diradical Character-Based Design for Singlet Fission of Bisanthene Derivatives: Aromatic-Ring Attachment and π‑Plane Twisting

The journal of physical chemistry letters, 2016-10, Vol.7 (19), p.3925-3930

2016

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Impact of Diradical/Ionic Character on Third‐Order Nonlinear Optical Property in Asymmetric Phenalenyl Dimers

ChemistrySelect (Weinheim), 2017-02, Vol.2 (6), p.2084-2087

2017

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Third‐Order Nonlinear Optical Properties of One‐Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups

ChemistryOpen (Weinheim), 2017-08, Vol.6 (4), p.506-513

2017

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Theoretical Study on Singlet Fission in Aromatic Diaza s‑Indacene Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-04, Vol.125 (16), p.3257-3267

2021

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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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Stabilization of Charge-Transfer States in Pentacene Crystals and Its Role in Singlet Fission

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

Density Analysis of Intra- and Intermolecular Vibronic Couplings toward Bath Engineering for Singlet Fission

Quantum Master Equation Approach to Singlet Fission Dynamics of Realistic/Artificial Pentacene Dimer Models: Relative Relaxation Factor Analysis

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

Interplay between Open-Shell Character, Aromaticity, and Second Hyperpolarizabilities in Indenofluorenes

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

Intermolecular Packing Effects on Singlet Fission in Oligorylene Dimers

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

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

Tuning Nonlinear Optical Properties by Altering the Diradical and Charge‐Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives

Theoretical Study on the Second Hyperpolarizailities of Oligomeric Systems Composed of Carbon and Silicon π-Structures

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

Molecular design for efficient singlet fission

Origin of the Enhancement of the Second Hyperpolarizabilities of Metal–Carbon Bonds

Design Principles of Electronic Couplings for Intramolecular Singlet Fission in Covalently-Linked Systems

Diradical Character-Based Design for Singlet Fission of Bisanthene Derivatives: Aromatic-Ring Attachment and π‑Plane Twisting

Impact of Diradical/Ionic Character on Third‐Order Nonlinear Optical Property in Asymmetric Phenalenyl Dimers

Third‐Order Nonlinear Optical Properties of One‐Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups

Theoretical Study on Singlet Fission in Aromatic Diaza s‑Indacene Dimers

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

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