60 results on '"Liang, Wanzhen"'
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2. Origins of the Accelerated Decomposition in Inorganic Tin Perovskites Contaminated by Oxygen: Ab Initio and Quantum Dynamics Study
3. Electronic Couplings for Singlet Fission Processes Based on the Fragment Particle-Hole Densities
4. Electronic Couplings for Singlet Fission Processes Based on The Fragment Particle-Hole Densities
5. Electronic Couplings for Singlet Fission Processes Based on The Fragment Particle-Hole Densities
6. Understanding the Key Roles of pH Buffer in Accelerating Lignin Degradation by Lignin Peroxidase
7. Substituent Effect on Vibrationally Resolved Absorption Spectra and Exciton Dynamics of Dipyrrolonaphthyridinedione Aggregates
8. Substituent Effect on Vibrationally Resolved Absorption Spectra and Exciton Dynamics of Dipyrrolonaphthyridinedion Aggregates
9. Amplitude Reordering Accelerates the Adaptive Variational Quantum Eigensolver Algorithms
10. Vibronic Coupling Effect on the Vibrationally-Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF Emitter: 7-PhQAD
11. Amplitude Reordering Accelerates the Adaptive Variational Quantum Eigensolver Algorithms
12. pH Accelerates the Long-Range Electron Transfer for Lignin Degradation via Second-Sphere H-Bonding Interactions
13. Correction to “Vibronic Coupling Effect on the Vibrationally Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF Emitter: 7-PhQA”
14. Gold-Based Double Perovskite-Related Polymorphs: Low Dimensional with an Ultranarrow Bandgap
15. Analytic High-Order Energy Derivatives for Metal Nanoparticle-Mediated Infrared and Raman Scattering Spectra within the Framework of Quantum Mechanics/Molecular Mechanics Model with Induced Charges and Dipoles
16. Vibronic Coupling Effect on the Vibrationally Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF Emitter: 7-PhQAD
17. H-Type-like Aggregation-Accelerated Singlet Fission Process in Dipyrrolonaphthyridinedione Thin Film: The Role of Charge Transfer/Excimer Mixed Intermediate State
18. Herzberg-Teller Vibronic Coupling Effect on the Vibrationally-Resolved Electronic Spectra and Intersystem Crossing Rates of a TADF Emitter: 7-PhQAD
19. Understanding the Mechanism of Plasmon-Driven Water Splitting: Hot Electron Injection and Near Field Enhancement Effects
20. Vibrationally Resolved Absorption Spectra and Exciton Dynamics in Zinc Phthalocyanine Aggregates: Effects of Aggregation Lengths and Remote Exciton Transfer
21. Why Hybrid Tin-Based Perovskites Simultaneously Improve the Structural Stability and Charge Carriers’ Lifetime: Ab Initio Quantum Dynamics
22. Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies
23. Electronic Couplings for Photoinduced Charge Transfer and Excitation Energy Transfer Based on Fragment Particle–Hole Densities
24. Joint Effects of Exciton–Exciton and Exciton–Photon Couplings on the Singlet Fission Dynamics in Organic Aggregates
25. How the Structures and Properties of Pristine and Anion Vacancy Defective Organic–Inorganic Hybrid Double Perovskites MA2AgIn(BrxI1–x)6 Vary with Br Content x
26. Can We See the Energy Densities? II. Insights from Linear-Response Time-Dependent Density Functional Theory Calculations
27. Can We See the Energy Densities? II. Insights from Linear-Response Time-Dependent Density Functional Theory Calculations
28. Can We See the Energy Densities? I. Insights from Real-Time Time-Dependent Density Functional Theory Simulations
29. Can We See the Energy Densities? I. Insights from Real-Time Time-Dependent Density Functional Theory Simulations
30. Constructing Spin-Adiabatic States for the Modeling of Spin-Crossing Reactions I. A Shared-Orbital Implementation
31. Constructing Spin-Adiabatic States for the Modeling of Spin-Crossing Reactions I. A Shared-Orbital Implementation
32. Constructing Spin-Adiabatic States for the Modeling of Spin-Crossing Reactions I. A Shared-Orbital Implementation
33. Atomically Thin p–n/p–n Nanodevices by Surface Charge Transfer Doping of Arsenene/Antimonene Heterostructures
34. Size-Dependent Optical Properties of Aluminum Nanoparticles: From Classical to Quantum Description
35. Charge Carrier Mobilities and Singlet Fission Dynamics in Thienoquinoidal Compounds
36. Quantum Interference in Singlet Fission: J- and H-Aggregate Behavior
37. NB-Type Electronic Asymmetric Compounds as Potential Blue-Color TADF Emitters: Steric Hindrance, Substitution Effect, and Electronic Characteristics
38. How the Structures and Properties of Two-Dimensional Layered Perovskites MAPbI3 and CsPbI3 Vary with the Number of Layers
39. Characterizing the Structures, Spectra, and Energy Landscapes Involved in the Excited-State Proton Transfer Process of Red Fluorescent Protein LSSmKate1
40. Effects of Charge Transfer State and Exciton Migration on Singlet Fission Dynamics in Organic Aggregates
41. Spectral Characteristics of Chemical Enhancement on SERS of Benzene-like Derivatives: Franck–Condon and Herzberg–Teller Contributions
42. Effect of Phase Junction Structure on the Photocatalytic Performance in Overall Water Splitting: Ga2O3 Photocatalyst as an Example
43. Aggregation-Induced Emission Mechanism of Dimethoxy-Tetraphenylethylene in Water Solution: Molecular Dynamics and QM/MM Investigations
44. Spectroscopic Signature of the Aggregation-Induced Emission Phenomena Caused by Restricted Nonradiative Decay: A Theoretical Proposal
45. Origin of High Photocatalytic Properties in the Mixed-Phase TiO2: A First-Principles Theoretical Study
46. Computational Insight on the Working Principles of Zinc Porphyrin Dye-Sensitized Solar Cells
47. Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation
48. Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg–Teller Effects: Formalism and Its Realistic Applications
49. Theoretical Prediction of Triplet–Triplet Energy Transfer Rates in a Benzophenone–Fluorene–Naphthalene System
50. Plasmon Resonance of Isolated Gold Hollow Nanoparticles and Nanoparticle Pairs: Insights from Electronic Structure Calculations
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