Temperature Dependence of the Electronic Absorption Spectrum of NO2
The nitrogen dioxide (NO2) radical is composed of the two most abundant elements in the
atmosphere, where it can be formed in a variety of ways including combustion, detonation of …
atmosphere, where it can be formed in a variety of ways including combustion, detonation of …
Electronic structure of nitrobenzene: A benchmark example of the accuracy of the multi-state CASPT2 theory
J Soto, M Algarra - The Journal of Physical Chemistry A, 2021 - ACS Publications
The electronic structure of nitrobenzene (C6H5NO2) has been studied by means of the
complete active space self-consistent field (CASSCF) and multi-state second-order …
complete active space self-consistent field (CASSCF) and multi-state second-order …
Formation of N(2D) from Hyperthermal Collisions between O(3P) and NO(X2Π)
D Lu, M González, H Guo - The Journal of Physical Chemistry A, 2023 - ACS Publications
Hyperthermal collisions between O (3P) and NO (X2Π) could lead to the formation of the first
electronically excited atomic nitrogen (N (2D)), which plays a key role in plasma formation in …
electronically excited atomic nitrogen (N (2D)), which plays a key role in plasma formation in …
Diabatic potential energy surfaces and semiclassical multi-state dynamics for fourteen coupled 3 A′ states of O3
Dissociation and energy transfer in high-energy collisions of O 2 play important roles in
simulating thermal energy content and heat flux in flows around hypersonic vehicles …
simulating thermal energy content and heat flux in flows around hypersonic vehicles …
Experimental and Theoretical Studies of Hyperthermal N + O2 Collisions
A Caracciolo, JC San Vicente Veliz, D Lu… - The Journal of …, 2023 - ACS Publications
The dynamics of hyperthermal N (4S)+ O2 collisions were investigated both experimentally
and theoretically. Crossed molecular beams experiments were performed at an average …
and theoretically. Crossed molecular beams experiments were performed at an average …
CO2 and NO2 formation on amorphous solid water
M Upadhyay, M Meuwly - Astronomy & Astrophysics, 2024 - aanda.org
Context. The dynamics of molecule formation, relaxation, diffusion, and desorption on
amorphous solid water (ASW) is studied in a quantitative fashion. Aims. The formation …
amorphous solid water (ASW) is studied in a quantitative fashion. Aims. The formation …
Broadband ultrafast-laser-absorption measurements of NO2 absorption cross-sections from 430 to 500 nm at high temperatures behind shock waves
This work presents broadband spectrally resolved measurements of the absorption cross-
section of NO 2 from approximately 430 to 500 or 580 nm, depending on temperature, with a …
section of NO 2 from approximately 430 to 500 or 580 nm, depending on temperature, with a …
Reactive and Nonreactive Collisions between NO(X2Π) and O(3P) under Hyperthermal Conditions
D Lu, DG Truhlar, H Guo - The Journal of Physical Chemistry A, 2022 - ACS Publications
Quasiclassical trajectory calculations are performed for hyperthermal collisions between NO
(X2Π) and O (3P) on recently developed potential energy surfaces for the lowest doublet …
(X2Π) and O (3P) on recently developed potential energy surfaces for the lowest doublet …
A white cell based broadband transient UV-vis absorption spectroscopy with pulsed laser photolysis reactors for chemical kinetics under variable temperatures and …
UV-vis spectroscopy is widely used for kinetic studies in physical chemistry, as species'
absolute cross-sections are usually less sensitive to experimental conditions (ie …
absolute cross-sections are usually less sensitive to experimental conditions (ie …
Franck–Condon spectra of unbound and imaginary-frequency vibrations via correlation functions: A branch-cut free, numerically stable derivation
Molecular electronic spectra can be represented in the time domain as auto-correlation
functions of the initial vibrational wavepacket. We present a derivation of the harmonic …
functions of the initial vibrational wavepacket. We present a derivation of the harmonic …