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Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint

Topics in current chemistry (2016), 2017-04, Vol.375 (2), p.47, Article 47

Nakano, Masayoshi

2017

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Quantum master equation approach to singlet fission dynamics in pentacene ring-shaped aggregate models

The Journal of chemical physics, 2019-06, Vol.150 (23), p.234305-234305

Nakano, Masayoshi

2019

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Thermal Decomposition of Silver Acetate: Physico-Geometrical Kinetic Features and Formation of Silver Nanoparticles

Journal of physical chemistry. C, 2016-04, Vol.120 (16), p.8841-8854

2016

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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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Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical

Journal of the American Chemical Society, 2016-02, Vol.138 (7), p.2399-2410

2016

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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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Theoretical Study on Singlet Fission Dynamics in Slip-Stack-like Pentacene Ring-Shaped Aggregate Models

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (25), p.5585-5600

2021

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Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level

Journal of the American Chemical Society, 2013-01, Vol.135 (4), p.1430-1437

2013

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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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NIR Emission and Acid-Induced Intramolecular Electron Transfer Derived from a SOMO–HOMO Converted Non-Aufbau Electronic Structure

Journal of physical chemistry. C, 2019-02, Vol.123 (7), p.4417-4423

2019

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Open‐Shell‐Character‐Based Molecular Design Principles: Applications to Nonlinear Optics and Singlet Fission

Chemical record, 2017-01, Vol.17 (1), p.27-62

Nakano, Masayoshi

2017

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Tetracyclopenta[def,jkl,pqr,vwx]tetraphenylene: A Potential Tetraradicaloid Hydrocarbon

Angewandte Chemie (International ed.), 2015-02, Vol.54 (7), p.2090-2094

International ed. in English, 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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Theoretical Study of Singlet Fission in Oligorylenes

The journal of physical chemistry letters, 2012-09, Vol.3 (18), p.2719-2723

2012

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Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals

Nature chemistry, 2016-08, Vol.8 (8), p.753-759

2016

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Diradical Character and Second Hyperpolarizability of Alkaline Earth Metal Inverse Sandwich Complexes Involving Cyclopentadienyl and Cyclooctatetraene Ligands

European journal of inorganic chemistry, 2018-07, Vol.2018 (25), p.2894-2899

2018

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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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Multistep Kinetic Behavior of the Thermal Decomposition of Granular Sodium Percarbonate: Hindrance Effect of the Outer Surface Layer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-09, Vol.119 (38), p.9749-9760

2015

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Third-Order Nonlinear Optical Properties of Asymmetric Non-Alternant Open-Shell Condensed-Ring Hydrocarbons: Effects of Diradical Character, Asymmetricity, and Exchange Interaction

Journal of physical chemistry. C, 2016-01, Vol.120 (2), p.1193-1207

2016

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Adenosine inhibits TNFα-induced MMP-3 production in MH7A rheumatoid arthritis synoviocytes via A2A receptor signaling

Scientific reports, 2022-04, Vol.12 (1), p.6033-6033, Article 6033

2022

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Intramolecular Pancake Bonding in Helical Structures

Chemistry : a European journal, 2017-06, Vol.23 (31), p.7474-7482

2017

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Exothermic Behavior of Thermal Decomposition of Sodium Percarbonate: Kinetic Deconvolution of Successive Endothermic and Exothermic Processes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-09, Vol.119 (38), p.9761-9769

2015

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Synthesis of the Unknown Indeno[1,2‐a]fluorene Regioisomer: Crystallographic Characterization of Its Dianion

Angewandte Chemie International Edition, 2017-11, Vol.56 (48), p.15363-15367

International ed. in English, 2017

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Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives

Journal of photochemistry and photobiology. A, Chemistry., 2012-05, Vol.235, p.29-34

2012

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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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Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint

Quantum master equation approach to singlet fission dynamics in pentacene ring-shaped aggregate models

Thermal Decomposition of Silver Acetate: Physico-Geometrical Kinetic Features and Formation of Silver Nanoparticles

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

Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical

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

Theoretical Study on Singlet Fission Dynamics in Slip-Stack-like Pentacene Ring-Shaped Aggregate Models

Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level

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

NIR Emission and Acid-Induced Intramolecular Electron Transfer Derived from a SOMO–HOMO Converted Non-Aufbau Electronic Structure

Open‐Shell‐Character‐Based Molecular Design Principles: Applications to Nonlinear Optics and Singlet Fission

Tetracyclopenta[def,jkl,pqr,vwx]tetraphenylene: A Potential Tetraradicaloid Hydrocarbon

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

Theoretical Study of Singlet Fission in Oligorylenes

Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals

Diradical Character and Second Hyperpolarizability of Alkaline Earth Metal Inverse Sandwich Complexes Involving Cyclopentadienyl and Cyclooctatetraene Ligands

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

Multistep Kinetic Behavior of the Thermal Decomposition of Granular Sodium Percarbonate: Hindrance Effect of the Outer Surface Layer

Third-Order Nonlinear Optical Properties of Asymmetric Non-Alternant Open-Shell Condensed-Ring Hydrocarbons: Effects of Diradical Character, Asymmetricity, and Exchange Interaction

Adenosine inhibits TNFα-induced MMP-3 production in MH7A rheumatoid arthritis synoviocytes via A2A receptor signaling

Intramolecular Pancake Bonding in Helical Structures

Exothermic Behavior of Thermal Decomposition of Sodium Percarbonate: Kinetic Deconvolution of Successive Endothermic and Exothermic Processes

Synthesis of the Unknown Indeno[1,2‐a]fluorene Regioisomer: Crystallographic Characterization of Its Dianion

Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives

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

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