Image de couverture de livre

Neural Network Potential Energy Surface for the low temperature Ring Polymer Molecular Dynamics of the H2CO + OH reaction

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	del Mazo-Sevillano, Pablo, Aguado, Alfredo, Roncero, Octavio
Format:	Preprint
Publié:	2021
Sujets:	Chemical Physics Astrophysics of Galaxies
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Quantum study of the CH$_3^+$ photodissociation in full dimension Neural Networks potential energy surfaces
par: del Mazo-Sevillano, Pablo, et autres
Publié: (2024)

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH$_2^+$
par: del Mazo-Sevillano, Pablo, et autres
Publié: (2026)

Inelastic H + H$^+_3$ Collision rates and their impact in the determination of the excitation temperature of H$^+_3$
par: Felix-Gonzalez, Daniel, et autres
Publié: (2024)

MADWAVE3: a quantum time dependent wave packet code for nonadiabatic state-to-state reaction dynamics of triatomic systems
par: Roncero, Octavio, et autres
Publié: (2024)

Supplementary data of "The destruction of CH$^+$ with atomic hydrogen at low temperature understood: a non-adiabatic dynamical study"
par: Roncero, Octavio, et autres
Publié: (2025)

Superhydrogenation of indene at low temperatures
par: Haid, S., et autres
Publié: (2025)

Low temperature formation of pyridine and (iso)quinoline via neutral neutral reactions
par: Yang, Zhenghai, et autres
Publié: (2024)

New routes for PN destruction and formation in the ISM via neutral-neutral gas-phase reactions and an extended database for reactions involving phosphorus
par: Silva, Mateus X., et autres
Publié: (2025)

Computational Insights into the Chemical Reaction Networks of C3H6O3,C3H7O3 and C2H5O2: Implications for the Interstellar Medium
par: Lema-Saavedra, Anxo, et autres
Publié: (2025)

Flux and fluence effects on the Vacuum-UV photodesorption and photoprocessing of CO$_2$ ices
par: Hacquard, Antoine B., et autres
Publié: (2024)

Valence and Rydberg excited state bond dissociation curves of CO2 from orbital-optimized density functional calculations
par: Barreiro-Lage, Darío, et autres
Publié: (2026)

The Bigger the Better? Accurate Molecular Potential Energy Surfaces from Minimalist Neural Networks
par: Käser, Silvan, et autres
Publié: (2024)

Termination of bottom-up interstellar aromatic ring formation at C6H5+
par: Kocheril, G. S., et autres
Publié: (2025)

Dissociation and radiative stabilization of the indene cation: The nature of the C-H bond and astrochemical implications
par: Stockett, M. H., et autres
Publié: (2025)

Discovery of the 7-ring PAH Cyanocoronene (C$_{24}$H$_{11}$CN) in GOTHAM Observations of TMC-1
par: Wenzel, Gabi, et autres
Publié: (2025)

Machine learning exploration of binding energy distributions of H2O at astrochemically relevant dust grain surfaces
par: Vaishnav, Anant, et autres
Publié: (2026)

Investigation of the rotational spectrum of CH$_3$$^{17}$OH and its tentative detection toward Sagittarius B2(N)
par: Müller, Holger S. P., et autres
Publié: (2024)

Measurements and simulations of rate coefficients for the deuterated forms of the H2 + + H2 and H3 + + H2 reactive systems at low temperature
par: Jiménez-Redondo, Miguel, et autres
Publié: (2024)

Electronic Friction Near Metal Surface: Incorporating Nuclear Quantum Effect with Ring Polymer Molecular Dynamics
par: Bi, Rui-Hao, et autres
Publié: (2023)

Ion-molecule routes towards cycles in TMC-1. An automated study of the C2H4 + CH2CCH+ reaction
par: Mallo, María, et autres
Publié: (2025)

Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical routes requiring oxygen and nitrogen atom surface diffusion
par: del Valle, Juan Carlos, et autres
Publié: (2026)

Rovibrational (de-)excitation of H$_{2}$ by He revisited
par: Jóźwiak, Hubert, et autres
Publié: (2023)

Refining Potential Energy Surface through Dynamical Properties via Differentiable Molecular Simulation
par: Han, Bin, et autres
Publié: (2024)

Photofragmentation of Corannulene (C20H10) and Sumanene (C21H12) cations in gas phase and its Astrophysical implications
par: Sundararajan, P., et autres
Publié: (2024)

Laboratory rotational spectra of cyanocyclohexane and its siblings (1- and 4-cyanocyclohexene) using a compact CP-FTMW spectrometer for interstellar detection
par: Wenzel, Gabi, et autres
Publié: (2025)

Searching for Corannulene with ALMA: Observations of the Red Rectangle Nebula
par: Koo, Elise, et autres
Publié: (2025)

Detection of antifreeze molecule ethylene glycol in the hot molecular core G358.93$-$0.03 MM1
par: Manna, Arijit, et autres
Publié: (2024)

Rotational Excitation of Vinyl Cyanide by Collisions with Helium Atoms at Low Temperature
par: Sogomonyan, Karina, et autres
Publié: (2025)

Photocleavage of aliphatic C--C bonds in the interstellar medium
par: Tajuelo-Castilla, Guillermo, et autres
Publié: (2024)

Detection and prebiotic chemistry of possible glycine precursor molecule methylenimine towards the hot molecular core G10.47+0.03
par: Manna, Arijit, et autres
Publié: (2024)

Mutual neutralization of C$_{60}^+$ and C$_{60}^-$ ions: Excitation energies and state-selective rate coefficients
par: Gatchell, Michael, et autres
Publié: (2024)

Dissociative electron attachment to the HNC$_3$ molecule
par: Aubin, Elizabeth, et autres
Publié: (2025)

Diffusive vs. non-diffusive paths to interstellar hydrogen peroxide. A machine learning-based molecular dynamics study
par: Poštulka, Jan, et autres
Publié: (2025)

Rotationally inelastic scattering of cyanocyclopentadiene by helium atoms
par: Sogomonyan, Karina, et autres
Publié: (2025)

Collisional excitation of propyne (CH$_3$CCH) by He atoms
par: Khalifa, M. Ben, et autres
Publié: (2024)

Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments
par: Perrero, Jessica, et autres
Publié: (2024)

Cosmic dust as a prerequisite for the formation of complex organic molecules in space?
par: Potapov, Alexey, et autres
Publié: (2025)

Observation of spontaneous N-bearing PAH formation using ion trap: a new formation pathway in the interstellar medium
par: Payra, Siddhartha S., et autres
Publié: (2026)

Study of Complex Nitrogen and Oxygen-bearing Molecules toward the High-mass Protostar IRAS 18089$-$1732
par: Manna, Arijit, et autres
Publié: (2024)

Laser-induced fragmentation of coronene cations
par: Panchagnula, S., et autres
Publié: (2024)