A Spectroscopic Description of Asymmetric Isotopologues of CO2

M Bermúdez-Montaña… - The Journal of …, 2023 - ACS Publications
A polyad-conserving algebraic model applied to vibrational excitations of asymmetric
isotopologues of CO2 is presented. First, the problem of vibrational excitations is studied by …

An algebraic alternative for the accurate simulation of CO2 Raman spectra

M Bermúdez‐Montaña, M Carvajal… - Journal of Raman …, 2020 - Wiley Online Library
We present an accurate simulation of the Raman spectrum of the carbon dioxide molecule in
the 1150–1500 cm− 1 spectral range, comparing the results obtained using the three polyad …

Vibrational description of the stretching modes of octahedral molecules: a local-to-normal mode transition criterion

L Coello, R Lemus - Molecular Physics, 2021 - Taylor & Francis
A criterion to establish the normal-to-local mode transition in the series of octahedral
molecules SF 6, WF 6 and UF 6 in terms of the suitability to estimate force constants in a …

Algebraic vibrational description of the symmetric isotopologues of CO2: 13C16O2, 12C18O2 and 12C17O2

M Bermúdez-Montaña, M Rodríguez-Arcos, M Carvajal… - Chemical Physics, 2022 - Elsevier
We present a polyad-conserving local model applied to the vibrational excitations of
symmetric isotopologues of carbon dioxide. The description is carried out in the framework …

Algebraic discrete variable representation approach applied to Lennard-Jones and H2 potentials

M Rodríguez-Arcos, M Bermúdez-Montana… - Molecular …, 2021 - Taylor & Francis
An algebraic method based on a discrete variable representation (DVR) scheme is applied
to describe 1D potentials. The approach is based on the algebraic realisation of the …

Connection between the SU (2) Lie algebraic approach and configuration space: application to methylene chloride

M Rodríguez-Arcos, M Bermúdez-Montaña… - Molecular …, 2022 - Taylor & Francis
The SU (2)-Lie algebraic approach based on the dynamical group U 1 (2)× U 2 (2)×⋯× U n
(2) to describe a set of n local oscillators is analysed from the point of view of its connection …

[PDF][PDF] Joao Francisco da Cruz Vargas

HTNE CO - 2020 - esther.ist.utl.pt
CO2 kinetic and radiative vibrational state-to-state processes (STS) are explored in this
work. Better insights into these processes may lead to more efficient spacecraft design for …

[PDF][PDF] Dynamics of molecular systems

A García-Vela, L Bañares, ML Senent - The European Physical Journal D, 2018 - Springer
The present edition of MOLEC, the XXI European Conference on the Dynamics of Molecular
Systems, MOLEC 2016, held in Toledo (Spain), has attracted 107 participants from more …