225 results on '"Fang, Wei‐Hai"'
Search Results
2. Synergistic Effects of Unconventional Hydrogen Bonds and π‑Stacking Interaction and Their Excited-State Dependence: The Origin of Unusual Photophysical Properties of Aromatic Thioketones in Acetonitrile and Hydrocarbons.
3. A Green Host–Guest Protocol to Improve Water Solubility of Fluorescent Dyes.
4. Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane.
5. Mechanistic Insights into N2O5‑Halide Ions Chemistry at the Air–Water Interface.
6. Nonadiabatic Molecular Dynamics in Momentum Space Beyond Harmonic Approximation: Hot Electron Relaxation in Photoexcited Black Phosphorus.
7. Quantum Computation of Conical Intersections on a Programmable Superconducting Quantum Processor.
8. Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation.
9. Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp3 Defect: The Importance of Excitonic Effects.
10. Significant Impact of Defect Fluctuation on Charge Dynamics in CsPbI3: A Study Combining Machine Learning with Quantum Dynamics.
11. Physics-Constrained Hardware-Efficient Ansatz on Quantum Computers That Is Universal, Systematically Improvable, and Size-Consistent.
12. Distributed Multi-GPU Ab Initio Density Matrix Renormalization Group Algorithm with Applications to the P‑Cluster of Nitrogenase.
13. A Complete Unveiling of the Mechanism and Chirality in Photoisomerization of Arylazopyrazole 3pzH: Combined Electronic Structure Calculations and AIMS Dynamic Simulations.
14. Nonadiabatic Dynamics Simulations for Photoinduced Processes in Molecules and Semiconductors: Methodologies and Applications.
15. Electron– versus Spin–Phonon Coupling Governs the Temperature-Dependent Carrier Dynamics in the Topological Insulator Bi2Te3.
16. Substrate Ferroelectric Proximity Effects Have a Strong Influence on Charge Carrier Lifetime in Black Phosphorus.
17. Near-Infrared Dual-Emission of a Thiolate-Protected Au42 Nanocluster: Excited States, Nonradiative Rates, and Mechanism.
18. Twist Angle-Dependent Intervalley Charge Carrier Transfer and Recombination in Bilayer WS2.
19. Surface Hydroxylation during Water Splitting Promotes the Photoactivity of BiVO4(010) Surface by Suppressing Polaron-Mediated Charge Recombination.
20. The Role of Self-Catalysis Induced by Co Doping in Nonaqueous Li–O2 Batteries.
21. Great Influence of Pressure and Isotope Effects on Nonradiative Charge Loss in Hybrid Organic–Inorganic Perovskites.
22. Understanding the Excited-State Relaxation Mechanisms of Xanthophyll Lutein by Multi-configurational Electronic Structure Calculations.
23. Nuclear Quantum Effects Prolong Charge Carrier Lifetimes in Hybrid Organic–Inorganic Perovskites.
24. Metallated Graphynes as Efficient Single-Atom Electrocatalysts for Nitric Oxide Reduction to Ammonia.
25. Mechanistic Understanding and Reactivity Analyses for the Photochemistry of Disubstituted Tetrazoles.
26. Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations.
27. Excitation-Wavelength-Dependent Charge-Carrier Lifetime in Hematite: An Insight from Nonadiabatic Molecular Dynamics.
28. Rapid Interlayer Charge Separation and Extended Carrier Lifetimes due to Spontaneous Symmetry Breaking in Organic and Mixed Organic–Inorganic Dion–Jacobson Perovskites.
29. Vanadium-Catalyzed Dinitrogen Reduction to Ammonia via a [V]NNH2 Intermediate.
30. Photolysis versus Photothermolysis of N2O on a Semiconductor Surface Revealed by Nonadiabatic Molecular Dynamics.
31. Assessment of State-Averaged Driven Similarity Renormalization Group on Vertical Excitation Energies: Optimal Flow Parameters and Applications to Nucleobases.
32. Highly Efficient White Emission from Semiconductor Ink Based on Copper Iodide Nanoclusters.
33. Fewest-Switches Surface Hopping with Long Short-Term Memory Networks.
34. Structural Disorder in Higher-Temperature Phases Increases Charge Carrier Lifetimes in Metal Halide Perovskites.
35. Variational Quantum Computation of Molecular Linear Response Properties on a Superconducting Quantum Processor.
36. Great Influence of Organic Cation Motion on Charge Carrier Dynamics in Metal Halide Perovskite Unraveled by Unsupervised Machine Learning.
37. Explicit-by-Implicit Treatment of Natural Orbital Occupations Using First- and Second-Order Optimization Algorithms: A Comparative Study.
38. Photocatalytic Reduction of Carbon Dioxide to Methane at the Pd-Supported TiO2 Interface: Mechanistic Insights from Theoretical Studies.
39. Computational Insight into Metallated Graphynes as Single Atom Electrocatalysts for Nitrogen Fixation.
40. Understanding Competitive Photo-Induced Molecular Oxygen Dissociation and Desorption Dynamics atop a Reduced Rutile TiO2(110) Surface: A Time-Domain Ab Initio Study.
41. Insights into photodissociation dynamics of benzamide and formanilide from ab initio calculations
42. Density functional theory investigations of the reaction of the chlorine atom-carbon disulfide molecular complex with dimethylbutane: Implications for tertiary selectivity in alkane photochlorination reactions
43. Collective Motion Improves the Stability and Charge Carrier Lifetime of Metal Halide Perovskites: A Phonon-Resolved Nonadiabatic Molecular Dynamics Study.
44. Suppressing Oxygen-Induced Deterioration of Metal Halide Perovskites by Alkaline Earth Metal Doping: A Quantum Dynamics Study.
45. Photodissociation of HN3 at 248 nm and longer wavelength: a CASSCF study
46. A CASSCF study on photodissociation of acrolein in the gas phase
47. Theoretical characterization of the structures and reactivity of 7-hydroxyquinoline-(H2O)(sub n) (n = 1-3) complexes
48. Ab initio study of the triple-proton-transfer reactions of ground and excited states of 7-hydroxyquinoline in methanol solution
49. Spin–Orbit Coupling Accelerates the Photoinduced Interfacial Electron Transfer in a Fullerene-Based Perovskite Heterojunction.
50. The Role of Range-Separated Correlation in Long-Range Corrected Hybrid Functionals.
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.