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A Theoretical Investigation into the Homo- and Hetero-leptic Cu(I) Phosphorescent Complexes Bearing 2,9-dimethyl-1,10-phenanthroline and bis [2-(diphenylphosphino)phenyl]ether Ligand

Materials, 2022-10, Vol.15 (20), p.7253

2022

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In-depth theoretical analysis of the influence of an external electric field on charge transport parameters

Chemical science (Cambridge), 2024-03, Vol.15 (12), p.443-4415

2024

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Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (15), p.1313-1324

2023

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From luminescence quenching to high-efficiency phosphorescence: a theoretical study on the monomeric and dimeric forms of platinum() complexes with both 2-pyridylimidazol-2-ylidene and bipyrazolate chelates

Physical chemistry chemical physics : PCCP, 2021-03, Vol.23 (9), p.5652-5664

2021

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A Promising Approach to Obtain Excellent n-Type Organic Field-Effect Transistors: Introducing Pyrazine Ring

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21416-21428

2011

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Unveiling the effects of substituents on the packing motif and the carrier transport of dinaphtho-thieno-thiophene (DNTT)-based materials

New journal of chemistry, 2021-07, Vol.45 (26), p.11552-11565

2021

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Are Triphenylamine-Functionalized or Carbazole-Functionalized Iridium Complexes the More Effective Phosphorescent Materials? A Theoretical Perspective

Chemistry : a European journal, 2014-04, Vol.20 (16), p.4671-4680

2014

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A theoretical analysis of the phosphorescence efficiencies of Cu(i) complexes

Dalton transactions : an international journal of inorganic chemistry, 2014-08, Vol.43 (29), p.11252-11259

2014

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New insight into the effects of N^N ligand isomerization and methyl modification on the phosphorescence properties of Cu( i ) complexes with (1-(2-pyridyl)pyrazole/imidazole) ligands

New journal of chemistry, 2018, Vol.42 (5), p.3660-3670

2018

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The effect of heteroatoms at end groups of anthracene derivatives on the photoelectric properties and crystal/film morphology: a theoretical perspective

Journal of materials chemistry. C, Materials for optical and electronic devices, 2023-10, Vol.11 (38), p.1318-1329

2023

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Theoretical investigation on the phosphorescence quantum yields of cyclometalated (C∧N) Pt(II) (acac) complexes: The impact of the position of the BMes2 moiety on the radiative and nonradiative decay processes

Organic electronics, 2017-12, Vol.51, p.38-47

2017

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How dual bridging atoms tune structural and optoelectronic properties of ladder-type heterotetracenes?—a theoretical study

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (43), p.19490-19498

2011

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Theoretical Investigation on the Origin of Yellow-Green Firefly Bioluminescence by Time-Dependent Density Functional Theory

Chemphyschem, 2010-07, Vol.11 (10), p.2199-2204

2010

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Theoretical Study on Photophysical Properties of Ambipolar Spirobifluorene Derivatives as Efficient Blue-Light-Emitting Materials

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-07, Vol.113 (27), p.7933-7939

2009

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The Dynamics Simulation and Quantum Calculation Investigation About Luminescence Mechanism of Coelenteramide

Photochemistry and photobiology, 2013-07, Vol.89 (4), p.849-855

2013

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A Time-Dependent Density Functional Theory Investigation on the Origin of Red Chemiluminescence

Chemphyschem, 2010-01, Vol.11 (1), p.251-259

2010

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The formation and decomposition of firefly dioxetanone

Chemical physics letters, 2011-04, Vol.506 (4), p.269-275

2011

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Visualization and quantification of cadmium accumulation, chelation and antioxidation during the process of vacuolar compartmentalization in the hyperaccumulator plant Solanum nigrum L

Plant science (Limerick), 2021-09, Vol.310, p.110961-110961, Article 110961

2021

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Self-Consistent Quantum Mechanics/Embedded Charge Study on Aggregation-Enhanced Delayed Fluorescence of Cu(I) Complexes: Luminescence Mechanism and Molecular Design Strategy

Inorganic chemistry, 2023-05, Vol.62 (20), p.7753-7763

2023

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Molecular Design of Highly Efficient Heavy-Atom-free NpImidazole Derivatives for Two-Photon Photodynamic Therapy and ClO– Detection

Journal of chemical information and modeling, 2023-07, Vol.63 (14), p.4392-4404

2023

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Effect of dihydropyrazine on structures and charge transport properties of N-heteropentacenes matters: A theoretical investigation

Organic electronics, 2012-12, Vol.13 (12), p.2832-2842

2012

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Molecular-Level Insight of Cu(I) Complexes with the 7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborate Ligand as a Thermally Activated Delayed Fluorescence Emitter: Luminescent Mechanism and Design Strategy

Inorganic chemistry, 2020-09, Vol.59 (17), p.12039-12053

2020

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Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers

Dyes and pigments, 2013-02, Vol.96 (2), p.349-363

2013

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Theoretical explore of bridge and donor engineering for novel naphthalimide based photosensitizers for two-photo photodynamic therapy

Dyes and pigments, 2024-03, Vol.222, p.111841, Article 111841

2024

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Theoretical Investigations on the Photophysical Properties for a Series of Symmetrical and Asymmetrical Carbazole-Based Cationic Two-Photon Fluorescent Probes: The Magic of Methyl Groups

Journal of physical chemistry. C, 2019-04, Vol.123 (14), p.9407-9419

2019

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A Theoretical Investigation into the Homo- and Hetero-leptic Cu(I) Phosphorescent Complexes Bearing 2,9-dimethyl-1,10-phenanthroline and bis [2-(diphenylphosphino)phenyl]ether Ligand

In-depth theoretical analysis of the influence of an external electric field on charge transport parameters

Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives

From luminescence quenching to high-efficiency phosphorescence: a theoretical study on the monomeric and dimeric forms of platinum() complexes with both 2-pyridylimidazol-2-ylidene and bipyrazolate chelates

A Promising Approach to Obtain Excellent n-Type Organic Field-Effect Transistors: Introducing Pyrazine Ring

Unveiling the effects of substituents on the packing motif and the carrier transport of dinaphtho-thieno-thiophene (DNTT)-based materials

Are Triphenylamine-Functionalized or Carbazole-Functionalized Iridium Complexes the More Effective Phosphorescent Materials? A Theoretical Perspective

A theoretical analysis of the phosphorescence efficiencies of Cu(i) complexes

New insight into the effects of N^N ligand isomerization and methyl modification on the phosphorescence properties of Cu( i ) complexes with (1-(2-pyridyl)pyrazole/imidazole) ligands

The effect of heteroatoms at end groups of anthracene derivatives on the photoelectric properties and crystal/film morphology: a theoretical perspective

Theoretical investigation on the phosphorescence quantum yields of cyclometalated (C∧N) Pt(II) (acac) complexes: The impact of the position of the BMes2 moiety on the radiative and nonradiative decay processes

How dual bridging atoms tune structural and optoelectronic properties of ladder-type heterotetracenes?—a theoretical study

Theoretical Investigation on the Origin of Yellow-Green Firefly Bioluminescence by Time-Dependent Density Functional Theory

Theoretical Study on Photophysical Properties of Ambipolar Spirobifluorene Derivatives as Efficient Blue-Light-Emitting Materials

The Dynamics Simulation and Quantum Calculation Investigation About Luminescence Mechanism of Coelenteramide

A Time-Dependent Density Functional Theory Investigation on the Origin of Red Chemiluminescence

The formation and decomposition of firefly dioxetanone

Visualization and quantification of cadmium accumulation, chelation and antioxidation during the process of vacuolar compartmentalization in the hyperaccumulator plant Solanum nigrum L

Self-Consistent Quantum Mechanics/Embedded Charge Study on Aggregation-Enhanced Delayed Fluorescence of Cu(I) Complexes: Luminescence Mechanism and Molecular Design Strategy

Molecular Design of Highly Efficient Heavy-Atom-free NpImidazole Derivatives for Two-Photon Photodynamic Therapy and ClO– Detection

Effect of dihydropyrazine on structures and charge transport properties of N-heteropentacenes matters: A theoretical investigation

Molecular-Level Insight of Cu(I) Complexes with the 7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborate Ligand as a Thermally Activated Delayed Fluorescence Emitter: Luminescent Mechanism and Design Strategy

Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers

Theoretical explore of bridge and donor engineering for novel naphthalimide based photosensitizers for two-photo photodynamic therapy

Theoretical Investigations on the Photophysical Properties for a Series of Symmetrical and Asymmetrical Carbazole-Based Cationic Two-Photon Fluorescent Probes: The Magic of Methyl Groups

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