Imagen de Portada

CO$_2$ and NO$_2$ Formation on Amorphous Solid Water

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Upadhyay, Meenu, Meuwly, Markus
Formato:	Preprint
Publicado:	2024
Materias:	Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

OH-Formation Following Vibrationally Induced Reaction Dynamics of H$_2$COO
por: Song, Kaisheng, et al.
Publicado: (2024)

Structure and Spectroscopy of Criegee Intermediates in Gas- and Aqueous Environments
por: Yin, Cangtao, et al.
Publicado: (2025)

End-to-End Photodissociation Dynamics of Energized H$_2$COO
por: Yin, Cangtao, et al.
Publicado: (2025)

Reaction Dynamics of the H + HeH$^+$ $\rightarrow$ He + H$_2^+$ System
por: Upadhyay, Meenu, et al.
Publicado: (2025)

High-Energy Reaction Dynamics of O$_3$
por: Wang, JingChun, et al.
Publicado: (2025)

Feshbach Resonances in Cold Collisions: Benchmarking State of the Art ab initio Potential Energy Surfaces
por: Horn, Karl P., et al.
Publicado: (2024)

Full-Dimensional Reactive Potential Energy Surfaces for OCS$^+$ $\rightarrow$ CO+S$^+$ Dissociation: Ground and Excited States
por: Yin, Cangtao, et al.
Publicado: (2026)

Full Reaction Pathway Dynamics for Atmospheric Decomposition Reactions: The Photodissociation of H$_2$COO
por: Yin, Cangtao, et al.
Publicado: (2026)

Diffusion and Spectroscopy of H$_2$ in Myoglobin
por: Käser, Jiri, et al.
Publicado: (2024)

Machine Learning-Based Enhancements of Empirical Energy Functions: Structure, Dynamics and Spectroscopy of Modified Benzenes
por: Chaton, Kham Lek, et al.
Publicado: (2024)

Cluster Models for Next-Generation, Machine-Learning-Based Energy Functions for Molecular Simulations
por: Wang, JingChun, et al.
Publicado: (2025)

Energy Relaxation of N$_2$O in Gaseous, Supercritical and Liquid Xenon and SF$_6$
por: Töpfer, Kai, et al.
Publicado: (2024)

Accurate Tunneling Splittings for Ever-Larger Molecules from Transfer-Learned, CCSD(T) Quality Energy Functions
por: Käser, Silvan, et al.
Publicado: (2024)

Towards Large-Scale Condensed Phase Simulations using Machine Learned Energy Functions
por: Boittier, Eric D., et al.
Publicado: (2025)

A State-Space-View of Atom-Diatom Reactions Relevant to Rarefied Gas Flow
por: Vijayakumar, Abhirami, et al.
Publicado: (2025)

Kernel-based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations
por: Boittier, Eric, et al.
Publicado: (2024)

Structure and Dynamics of Deep Eutectic Systems from Cluster-Optimized Energy Functions
por: Töpfer, Kai, et al.
Publicado: (2025)

The Bigger the Better? Accurate Molecular Potential Energy Surfaces from Minimalist Neural Networks
por: Käser, Silvan, et al.
Publicado: (2024)

Force Fields for Deep Eutectic Mixtures: Application to Structure and 2D-Infrared Spectroscopy
por: Töpfer, Kai, et al.
Publicado: (2024)

Tripeptide-Dynamics from Empirical and Machine-Learned Energy Functions
por: Aydin, Sena, et al.
Publicado: (2025)

Efficient, Equivariant Predictions of Distributed Charge Models
por: Boittier, Eric D., et al.
Publicado: (2026)

SCN as a Local Probe of Protein Structural Dynamics
por: Aydin, Sena, et al.
Publicado: (2024)

High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum Dynamics
por: Andreichev, Valerii, et al.
Publicado: (2026)

Towards Quantitative Reaction Dynamics of O3
por: Martin-Barrios, Raidel, et al.
Publicado: (2026)

High-Energy Reaction Dynamics of N$_{3}$
por: Wang, JingChun, et al.
Publicado: (2024)

Explicit, Machine-Learned Two-Body Potentials for Molecular Simulations
por: Chaton, Kham Lek, et al.
Publicado: (2026)

Augmenting chemical databases for atomistic machine learning by sampling conformational space
por: Vazquez-Salazar, Luis Itza, et al.
Publicado: (2025)

Outlier-Detection for Reactive Machine Learned Potential Energy Surfaces
por: Vazquez-Salazar, Luis Itza, et al.
Publicado: (2024)

Dynamics of Protonated Oxalate from Machine-Learned Simulations and Experiment: Infrared Signatures, Proton Transfer Dynamics and Tunneling Splittings
por: Andreichev, Valerii, et al.
Publicado: (2025)

Reaction Dynamics for the [NNO] System from State-Resolved and Coarse-Grained Models
por: Veliz, Juan Carlos San Vicente, et al.
Publicado: (2025)

Design, Assessment, and Application of Machine Learning Potential Energy Surfaces
por: Andreichev, Valerii, et al.
Publicado: (2025)

${\it Asparagus}$: A Toolkit for Autonomous, User-Guided Construction of Machine-Learned Potential Energy Surfaces
por: Töpfer, Kai, et al.
Publicado: (2024)

Structure and Spectroscopy of Criegee Intermediates in Gas‐ and Aqueous Environments
por: Cangtao Yin, et al.
Publicado: (2026)

Fidelity of Machine Learned Potentials: Quantitative Assessment for Protonated Oxalate
por: Qu, Chen, et al.
Publicado: (2026)

Formation and Trapping of CO2 from Cryogenic Irradiation of Carbonate
por: Pandya, Ashma, et al.
Publicado: (2026)

How Crystalline is Low-Density Amorphous Ice?
por: Davies, Michael Benedict, et al.
Publicado: (2023)

Spectra of CO2-Rg2 and CO2-Rg-He trimers (Rg = Ne, Ar, Kr, and Xe): intermolecular CO2 rock, vibrational shifts and three-body effects
por: Barclay, A. J., et al.
Publicado: (2022)

Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces
por: Advincula, Xavier R., et al.
Publicado: (2025)

CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism
por: Brookes, Samuel G. H., et al.
Publicado: (2025)

The curious case of CO$_2$ dissociation on Cu(110)
por: Singh, Saurabh Kumar, et al.
Publicado: (2023)