Brand new aspects of the a4Σu+→ X2Σg+ transition probabilities in N2+

RS Da Silva, LR Ventura, CE Fellows… - Journal of Quantitative …, 2023 - Elsevier
Spin-forbidden transitions have demonstrated to be of great importance in the spectroscopic
studies. This work presents a new look at the spin-forbidden a 4 Σ u+→ X 2 Σ g+ transitions …

Hydrogen-Bonded π Complexes between Phosphaethyne and Hydrogen Chloride

J Jiang, B Lu, B Zhu, X Li, G Rauhut… - The Journal of Physical …, 2023 - ACS Publications
The highly labile complexes between phosphaethyne (HCP) and hydrogen chloride (HCl)
with 1: 1 and 1: 2 stoichiometries have been generated in Ar and N2 matrices at 10 K …

Transition probabilities and radiative lifetimes of C2−: A high level theoretical investigation

RS da Silva - Journal of Quantitative Spectroscopy and Radiative …, 2024 - Elsevier
Dicarbon species are of particular interest within the physical chemistry community.
However, contrary to neutral C 2, the theory of electronic structure and spectra concerning C …

[HTML][HTML] Restricted open-shell time-dependent density functional theory with perturbative spin–orbit coupling

CS Chibueze, L Visscher - The Journal of chemical physics, 2024 - pubs.aip.org
When using quantum chemical methods to study electronically excited states of open-shell
molecules, it is often beneficial to start with wave functions that are spin eigenfunctions. For …

Introduction to molecular photophysics

A Jodra, LM Frutos, C García-Iriepa… - Theoretical and …, 2023 - Elsevier
In this chapter, the basic concepts regarding molecular photophysics are introduced. First,
the interaction of light and matter is explained, including the time-dependent perturbation …

Electronically Excited States of Free Radicals

IV Khudyakov - Physchem, 2023 - mdpi.com
Formation of the excited doublet (D) and quartet (Q) states of free radicals under their
photoexcitation is discussed. The relative positions of the D and Q states are compared to …

[PDF][PDF] Infrared and electronic spectroscopy of small organo phosphorus molecules in rare gas matrices

E Ganesan, AL Lawzer, T Custer, JC Guillemin… - mao.tfai.vu.lt
Infrared and electronic spectroscopy of small organo phosphorus molecules in rare gas
matrices Page 1 Infrared and electronic spectroscopy of small organo phosphorus molecules in …