Novel approach for evaluation of CO2 vibrational relaxation times
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.138288
Abstract: Abstract Vibrational relaxation times in carbon dioxide are studied theoretically in one-temperature and multi-temperature approaches on the basis of the kinetic theory. Relaxation times are evaluated in the temperature range 500–10000 K using various models for… read more here.
Keywords: approach evaluation; relaxation; novel approach; relaxation times ... See more keywords
Work Function Dependence of Vibrational Relaxation Probabilities: NO(v = 2) Scattering from Ultrathin Metallic Films of Ag/Au(111)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b01950
Abstract: We present measurements on the vibrational relaxation of NO(v = 2) scattered from atomically defined thin films of Ag on Au(111). The vibrational relaxation probability is strongly dependent on film thickness, increasing with each of… read more here.
Keywords: relaxation; work function; vibrational relaxation; films 111 ... See more keywords
The C(3P) + O2(3Σg−) → CO2 ↔ CO(1Σ+) + O(1D)/O(3P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K†
Sign Up to like & getrecommendations! Published in 2021 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d1cp01101d
Abstract: Thermal rates for the C(3P) + O2(3Σg−) ↔ CO(1Σ+)+ O(1D)/O(3P) reaction are investigated over a wide temperature range based on quasi classical trajectory (QCT) simulations on 3-dimensional, reactive potential energy surfaces (PESs) for the 1A′,… read more here.
Keywords: thermal vibrational; relaxation; vibrational relaxation; co2 reaction ... See more keywords
Generalised Landau–Teller fitting of the vibrational relaxation rates in atom–diatom collisions: O2–Ar system as a case study
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Physics"
DOI: 10.1080/00268976.2021.1938266
Abstract: The common trajectory effective mass (CTEM) approach is applied to the calculation of the temperature dependence of the vibrational relaxation rate coefficient k 10 in collisions of a diatomic molecule with chemically inert atom on… read more here.
Keywords: landau teller; relaxation; temperature; vibrational relaxation ... See more keywords
Mechanical Vibrational Relaxation of NO Scattering from Metal and Insulator Surfaces: When and Why They Are Different.
Sign Up to like & getrecommendations! Published in 2021 at "Physical review letters"
DOI: 10.1103/physrevlett.126.156101
Abstract: NO scattering from metallic and insulating surfaces represents contrasting benchmark systems for understanding energy transfer at gas-surface interface. Strikingly different behaviors of highly vibrationally excited NO scattered from Au(111) and LiF(001) were observed and attributed… read more here.
Keywords: vibrational relaxation; energy transfer; mechanical vibrational; scattering metal ... See more keywords
Charge-State Dependent Vibrational Relaxation in a Single-Molecule Junction.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review letters"
DOI: 10.1103/physrevlett.129.207702
Abstract: The outcome of an electron-transfer process is determined by the quantum-mechanical interplay between electronic and vibrational degrees of freedom. Nonequilibrium vibrational dynamics are known to direct electron-transfer mechanisms in molecular systems; however, the structural features… read more here.
Keywords: charge state; vibrational relaxation; molecule; state dependent ... See more keywords
State-Specific Modeling of Vibrational Relaxation and Nitric Oxide Formation in Shock-Heated Air
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Thermophysics and Heat Transfer"
DOI: 10.2514/1.t5271
Abstract: A vibration-specific approach is employed to describe vibrational relaxation and reactive processes in shock-heated air. Models are implemented that include results from recent theoretical calculat... read more here.
Keywords: heated air; vibrational relaxation; shock heated;