:: Library Catalog

Copertina

Salvato in:

Dettagli Bibliografici
Autori principali:	Kumar, U. Vijaya Chandra, Nagesh, H. M., N, Narahari
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Chemical Physics Materials Science
Accesso online:	https://arxiv.org/abs/2511.01949
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

QSPR Analysis with Curvilinear Regression Modeling and Temperature-based Topological Indices
di: Nagesh, H. M.
Pubblicazione: (2024)

On Nirmala indices based entropy measures for the complex structure of ruthenium bipyridine
di: Nagesh, H. M., et al.
Pubblicazione: (2024)

Proper Orthogonal Descriptors for Multi-element Chemical Systems
di: Nguyen, Ngoc-Cuong
Pubblicazione: (2022)

Active-Spin-State-Derived Descriptor for Hydrogen Evolution Reaction Catalysis
di: Tan, Yu, et al.
Pubblicazione: (2025)

Identifying the Catalytic Descriptor of Single-Atom Catalysts in Nitrate Reduction Reaction: An Interpretable Machine-Learning Method
di: Zhu, Zhen, et al.
Pubblicazione: (2025)

Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
di: Liu, Zhijian, et al.
Pubblicazione: (2025)

Rapidly Screening the Correlation Between the Rotational Mobility and the Hydrogen Bonding Strength of Confined Water
di: Beaton, Alec A., et al.
Pubblicazione: (2023)

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO$_2$ to Methanol Conversion
di: Pisal, Prajwal, et al.
Pubblicazione: (2024)

Exceptional Alkaline Methanol Electrooxidation on Bi-modified Pt3M Intermetallics: Kinetic Origins and an OH Binding Energy Descriptor
di: Liang, Lecheng, et al.
Pubblicazione: (2025)

Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks
di: Širůček, Jakub, et al.
Pubblicazione: (2025)

Unveiling the Role of Lewis Base Strength in Small-Molecule Passivation of Defect Perovskites
di: Wu, Yi-Chen, et al.
Pubblicazione: (2024)

Insights into Ionic Diffusion in C-S-H Gel Pore from Molecular Dynamics Simulations: Spatial Distributions, Energy Barriers, and Structural Descriptor
di: Chen, Weiqiang, et al.
Pubblicazione: (2025)

Ultrafast Processes in Isomeric Pyrene-N-methylacetamides: Formation of Hydrogen Bond Induced Static Excimers with Varied Coupling Strength
di: Basuroy, Krishnayan, et al.
Pubblicazione: (2021)

Vertex energy distributions in regular graph structures
di: Nagesh, H. M., et al.
Pubblicazione: (2025)

Topological descriptors for the electron density of inorganic solids
di: Szymanski, Nathan J., et al.
Pubblicazione: (2025)

More is different: How chemical complexity influences stability in high entropy oxides
di: Khoroshun, Ksenia, et al.
Pubblicazione: (2025)

Edge Exposure as the Trigger for Structural Instability in LP-N and HLP-N
di: Chen, Guo, et al.
Pubblicazione: (2025)

Topological iron silicide with H* intermediate modulated surface for efficient electrocatalytic hydrogenation of nitrobenzene in neutral medium
di: Wang, Yuchen, et al.
Pubblicazione: (2024)

Dynamical Data for More Efficient and Generalizable Learning: A Case Study in Disordered Elastic Networks
di: Salman, Salman N., et al.
Pubblicazione: (2025)

Oxygen redox in battery cathodes: A brief overview
di: Assadi, M. Hussein N., et al.
Pubblicazione: (2024)

Visible-Light Photocatalytic Degradation of Cresols using Sustainable 3D-Printed Bi4O5I2-Hematite Scaffold
di: Rawat, Akash, et al.
Pubblicazione: (2025)

Accuracy and Limitations of Machine-Learned Interatomic Potentials for Magnetic Systems: A Case Study on Fe-Cr-C
di: Khazieva, E. O., et al.
Pubblicazione: (2025)

Topological junction states in graphene nanoribbons: A route to topological chemistry
di: Abdelsalam, Hazem, et al.
Pubblicazione: (2024)

Non-adiabatic perturbation theory of the exact factorisation
di: Tu, Matisse Wei-Yuan, et al.
Pubblicazione: (2025)

Topological Control of Transition Metal Networks for Reversible High-Capacity Li-rich Cathodes
di: Ke, Changming, et al.
Pubblicazione: (2025)

Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach
di: Carbogno, Christian, et al.
Pubblicazione: (2025)

Automatic Identification of Compounds in Molecular Mixtures from Liquid-Phase Infrared Spectra
di: Melle, Yannah J. U., et al.
Pubblicazione: (2026)

Coherent Spectroscopic Probes of Topology: A Velocity-Gauge Perspective
di: Bittner, Eric R, et al.
Pubblicazione: (2025)

Resonant molecular transitions in second harmonic generation spectroscopy of Fe-octaethylporphyrin adsorbed on Cu(001)
di: Eschenlohr, A., et al.
Pubblicazione: (2024)

Current progress in corrosion of multi principal element alloys
di: Ghorbani, M., et al.
Pubblicazione: (2024)

Thermal Degradation Mechanisms and Stability Enhancement Strategies in Perovskite Solar Cells: A Review
di: Paul, Arghya, et al.
Pubblicazione: (2025)

Detection of Nanopores with the Scanning Ion Conductance Microscopy: A Simulation Study
di: Qiu, Yinghua, et al.
Pubblicazione: (2024)

A Computational Study of Organic Molecular Crystals for Photocatalytic Water Splitting
di: Green, James D., et al.
Pubblicazione: (2026)

Acrylamide Conformers: A Revision of Published Density Functional Theory Studies
di: Scott, William, et al.
Pubblicazione: (2026)

Mid-infrared intraband transitions in InAs colloidal quantum dots
di: Saha, Shraman Kumar, et al.
Pubblicazione: (2025)

Refining Coarse-Grained Molecular Topologies: A Bayesian Optimization Approach
di: Ray, Pranoy, et al.
Pubblicazione: (2025)

Shadow Molecular Dynamics for a Charge-Potential Equilibration Model
di: Stanton, Robert, et al.
Pubblicazione: (2025)

MACE Foundation Models for Lattice Dynamics: A Benchmark Study on Double Halide Perovskites
di: Yang, Jack, et al.
Pubblicazione: (2025)

Simultaneous Superconducting and Topological Properties in Mg-Li Electrides at High Pressures
di: Wang, D., et al.
Pubblicazione: (2025)

The Zintl-Klemm Concept in the Amorphous State: A Case Study of Na-P Battery Anodes
di: Wu, Litong, et al.
Pubblicazione: (2025)