An Experimental and Theoretical Investigation of the Gas-Phase C(3P) + N2O Reaction. Low Temperature Rate Constants and Astrochemical Implications

KM Hickson, JC Loison, P Larregaray… - The Journal of …, 2022 - ACS Publications
The reaction between atomic carbon in its ground electronic state, C (3P), and nitrous oxide,
N2O, has been studied below room temperature due to its potential importance for …

Dynamics on multiple potential energy surfaces: quantitative studies of elementary processes relevant to hypersonics

D Koner, RJ Bemish, M Meuwly - The Journal of Physical …, 2020 - ACS Publications
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for
application in hypersonic model calculations is discussed. For this, potential energy surfaces …

High-accuracy DMBE potential energy surface for CNO (A′′ 4) and the rate coefficients for the C+ NO reaction in the A′ 2, A′′ 2, and A′′ 4 states

MO Alves, VC Mota, JP Braga, AJC Varandas… - The Journal of …, 2023 - pubs.aip.org
High-accuracy DMBE potential energy surface for CNO(⁠A′′4⁠) and the rate coefficients for
the C + NO reaction in the A′2⁠, A′′2⁠, and A′′4 states | The Journal of Chemical …

Theoretical study of the O (3P)+ CN (X2Σ+)→ CO (X1Σ+)+ N (2D)/N (4S) reactions

D Lu, MO Alves, BRL Galvão, H Guo - The Journal of Chemical …, 2024 - pubs.aip.org
Theoretical study of the O(3P) + CN(X2Σ+⁠) → CO(X1Σ+) + N(2D)/N(4S) reactions | The Journal
of Chemical Physics | AIP Publishing Skip to Main Content Umbrella Alt Text Umbrella Alt …

Accurate DMBE potential-energy surface for CNO (2A ″) and rate coefficients in C (3P)+ NO collisions

MO Alves, CEM Gonçalves, JP Braga… - The Journal of …, 2021 - pubs.aip.org
A realistic double many-body expansion potential energy surface (PES) is developed for the
2 A ″state of the carbon–nitrogen–oxygen (CNO) system based on MRCI-F12/cc-pVQZ-F12 …

A further look at the Li+ HCl→ LiCl+ H reaction

XF Yue, J Fang, J Li, HR Feng, MC Jiao… - Chemical Physics …, 2021 - Elsevier
Despite its paradigmatic role in early molecular beam experiments and theoretical molecular
reaction dynamics, an attempt is made in the present work to elucidate basic aspects of the …

Heterocumulenic carbene nitric oxide radical OCCNO˙

B Lu, C Song, W Qian, Z Wu, AG Császár… - Chemical …, 2019 - pubs.rsc.org
The elusive heterocumulenic radical OCCNO˙ and its isotopologues OC13CNO˙ and
OCC15NO˙ have been prepared by reacting photolytically generated unsaturated carbene …

[PDF][PDF] Reactive Collisions and Final State Analysis of C-and O-Involving Reactions Relevant to the Hypersonic Flight Regime

M Meuwly - apps.dtic.mil
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for
application in hypersonic model calculations is discussed. For this, potential energy surfaces …