Using the Haken-Strobl-Reineker Model to Determine the Temperature Dependence of the Diffusion Coefficient
Fuente:
arXiv
Guardado en:
| Autor principal: | Barford, William |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Temperature Dependence of Charge and Exciton Transport in One-Dimensional Systems Subject to Static and Dynamic Disorder
por: Barford, William
Publicado: (2025)
por: Barford, William
Publicado: (2025)
Singlet Fission in Carotenoid Dimers -- The Role of the Exchange and Dipolar Interactions
por: Ichert, Alexandru G., et al.
Publicado: (2024)
por: Ichert, Alexandru G., et al.
Publicado: (2024)
Triplet-Pair Character of the $2^1A_g$ Dark State of Polyenes
por: Ichert, Alexandru G., et al.
Publicado: (2026)
por: Ichert, Alexandru G., et al.
Publicado: (2026)
A Vibronic Coupling Model to Study the Nonadiabatic Dynamics of Polyenes
por: Georges, Timothy N., et al.
Publicado: (2025)
por: Georges, Timothy N., et al.
Publicado: (2025)
Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids
por: Rittig, Jan G., et al.
Publicado: (2022)
por: Rittig, Jan G., et al.
Publicado: (2022)
Entropy Scaling for Diffusion Coefficients in Fluid Mixtures
por: Schmitt, Sebastian, et al.
Publicado: (2024)
por: Schmitt, Sebastian, et al.
Publicado: (2024)
Uncertainties in the Transport Properties of Helium Gas at Cryogenic Temperatures Determined Using Molecular Dynamics Simulation
por: Ramkumar, Kaanapuli, et al.
Publicado: (2022)
por: Ramkumar, Kaanapuli, et al.
Publicado: (2022)
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks
por: Brozos, Christoforos, et al.
Publicado: (2024)
por: Brozos, Christoforos, et al.
Publicado: (2024)
Semiclassical Spin Exchange via Temperature-Dependent Transition States
por: Mukherjee, Debaarjun, et al.
Publicado: (2025)
por: Mukherjee, Debaarjun, et al.
Publicado: (2025)
A Residence-Time Approach for Determining Position-Dependent Diffusivities from Biased Molecular Simulations
por: Thomas, Rinto, et al.
Publicado: (2026)
por: Thomas, Rinto, et al.
Publicado: (2026)
Hybrid Machine Learning for Enhanced Prediction of Diffusion Coefficients in Liquids
por: Wagner, Jens, et al.
Publicado: (2026)
por: Wagner, Jens, et al.
Publicado: (2026)
Prediction of Activity Coefficients by Similarity-Based Imputation using Quantum-Chemical Descriptors
por: Hayer, Nicolas, et al.
Publicado: (2024)
por: Hayer, Nicolas, et al.
Publicado: (2024)
Predicting the Temperature-Dependent CMC of Surfactant Mixtures with Graph Neural Networks
por: Brozos, Christoforos, et al.
Publicado: (2024)
por: Brozos, Christoforos, et al.
Publicado: (2024)
Supercooled Liquid Water Diffusivity at Temperatures near the Glass Transition Temperature
por: Smith, R. Scott, et al.
Publicado: (2025)
por: Smith, R. Scott, et al.
Publicado: (2025)
Two Determinant Distinguishable Cluster
por: Schraivogel, Thomas, et al.
Publicado: (2024)
por: Schraivogel, Thomas, et al.
Publicado: (2024)
Comprehensive Quantum Calculation of the First Dielectric Virial Coefficient of Water
por: Garberoglio, Giovanni, et al.
Publicado: (2023)
por: Garberoglio, Giovanni, et al.
Publicado: (2023)
Kernel-based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations
por: Boittier, Eric, et al.
Publicado: (2024)
por: Boittier, Eric, et al.
Publicado: (2024)
The Role of Spin-Orbit Coupling on the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes
por: Talbot, Justin J., et al.
Publicado: (2024)
por: Talbot, Justin J., et al.
Publicado: (2024)
On the Functional Dependence of Transition-Potential Coupled Cluster
por: Delgado, Alexis A. A., et al.
Publicado: (2025)
por: Delgado, Alexis A. A., et al.
Publicado: (2025)
Ensemble Time-Dependent Density Functional Theory
por: Daas, Kimberly J., et al.
Publicado: (2025)
por: Daas, Kimberly J., et al.
Publicado: (2025)
Multi-Spectroscopic Method to Quantify Rapid Decomposition of an Organophosphate Simulant Using Reactive Materials as a Function of Metal Powder Chemistry and Temperature
por: Borah, Preetom, et al.
Publicado: (2025)
por: Borah, Preetom, et al.
Publicado: (2025)
Numerically Exact Configuration Interaction at Quadrillion-Determinant Scale
por: Shayit, Agam, et al.
Publicado: (2025)
por: Shayit, Agam, et al.
Publicado: (2025)
Wavelength-Dependent Photodissociation of Iodomethylbutane
por: Music, Valerija, et al.
Publicado: (2025)
por: Music, Valerija, et al.
Publicado: (2025)
On the Specialisation of Gaussian Basis Sets for Core-Dependent Properties
por: Ireland, Robbie T., et al.
Publicado: (2024)
por: Ireland, Robbie T., et al.
Publicado: (2024)
Generalized Path Reweighting and History-Dependent Free Energies
por: van Erp, Titus S., et al.
Publicado: (2026)
por: van Erp, Titus S., et al.
Publicado: (2026)
Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
por: Krishnan, Aparna, et al.
Publicado: (2026)
por: Krishnan, Aparna, et al.
Publicado: (2026)
Scale-Dependent Velocity Fluctuations Generated by Molecular Collisions
por: Barkman, Tristan
Publicado: (2025)
por: Barkman, Tristan
Publicado: (2025)
Time-Dependent Coupled-Cluster Theory of Multireference Systems
por: Mosquera, Martín A.
Publicado: (2025)
por: Mosquera, Martín A.
Publicado: (2025)
Latent Thermodynamic Flows: Unified Representation Learning and Generative Modeling of Temperature-Dependent Behaviors from Limited Data
por: Qiu, Yunrui, et al.
Publicado: (2025)
por: Qiu, Yunrui, et al.
Publicado: (2025)
Integrating Experiment with Theory to Determine the Structure of Electrode-Electrolyte Interfaces
por: Bonagiri, Lalith Krishna Samanth, et al.
Publicado: (2024)
por: Bonagiri, Lalith Krishna Samanth, et al.
Publicado: (2024)
Beyond Born-Oppenheimer Time-Dependent Density Functional Theory
por: Li, Chen, et al.
Publicado: (2025)
por: Li, Chen, et al.
Publicado: (2025)
Determination of output composition in reaction-advection-diffusion systems on network reactors
por: Feres, Renato, et al.
Publicado: (2024)
por: Feres, Renato, et al.
Publicado: (2024)
The Importance of Layer-Dependent Molecular Twisting for the Structural Anisotropy of Interfacial Water
por: Fellows, Alexander P., et al.
Publicado: (2025)
por: Fellows, Alexander P., et al.
Publicado: (2025)
Quantum Chemistry Model of Surface Reactions and Kinetic Model of Diamond Growth: Effects of CH3 Radicals and C2H2 Molecules at Low-Temperatures CVD
por: Barsukov, Yuri, et al.
Publicado: (2024)
por: Barsukov, Yuri, et al.
Publicado: (2024)
Real-Time Time-Dependent Density Functional Theory for Pump-Probe Spectroscopies
por: Moitra, Torsha
Publicado: (2026)
por: Moitra, Torsha
Publicado: (2026)
Excited State Densities from Time-Dependent Density Functional Response Theory
por: Baranova, Anna, et al.
Publicado: (2025)
por: Baranova, Anna, et al.
Publicado: (2025)
Interfacial Electric Fields in Water Nanodroplets are Weakly Dependent on Curvature and pH
por: Amante, Gabriele, et al.
Publicado: (2026)
por: Amante, Gabriele, et al.
Publicado: (2026)
How Symmetry Governs the Dihedral Angle Dependence of Intermolecular Spin-Orbit Coupling
por: Garzon-Ramirez, Antonio J., et al.
Publicado: (2026)
por: Garzon-Ramirez, Antonio J., et al.
Publicado: (2026)
Using Partial Structure R1 to Determine Small-Molecule Crystal Structures at the Lowest Resolution Limits
por: Zhang, Xiaodong
Publicado: (2024)
por: Zhang, Xiaodong
Publicado: (2024)
Universal Approach for Determining Multi-Dimensional Anharmonic Vibrations from Electronic Quantum Methods
por: Withanage, Kushantha P. K., et al.
Publicado: (2025)
por: Withanage, Kushantha P. K., et al.
Publicado: (2025)
Ejemplares similares
-
Temperature Dependence of Charge and Exciton Transport in One-Dimensional Systems Subject to Static and Dynamic Disorder
por: Barford, William
Publicado: (2025) -
Singlet Fission in Carotenoid Dimers -- The Role of the Exchange and Dipolar Interactions
por: Ichert, Alexandru G., et al.
Publicado: (2024) -
Triplet-Pair Character of the $2^1A_g$ Dark State of Polyenes
por: Ichert, Alexandru G., et al.
Publicado: (2026) -
A Vibronic Coupling Model to Study the Nonadiabatic Dynamics of Polyenes
por: Georges, Timothy N., et al.
Publicado: (2025) -
Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids
por: Rittig, Jan G., et al.
Publicado: (2022)