Radial molecular property functions of NO in its ground electronic state

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00570881" target="_blank" >RIV/61388963:_____/23:00570881 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/23:10474402

Výsledek na webu

<a href="https://doi.org/10.1016/j.jqsrt.2023.108562" target="_blank" >https://doi.org/10.1016/j.jqsrt.2023.108562</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jqsrt.2023.108562" target="_blank" >10.1016/j.jqsrt.2023.108562</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Radial molecular property functions of NO in its ground electronic state

Popis výsledku v původním jazyce

Effective potential energy curves of the ground electronic states of the isotopomers of nitric oxide (NO) are constructed by morphing the best empirical potential energy function from the literature within the framework of the Jenč reduced potential energy curve (RPC) approach. The morphing is performed by fitting the RPC parameters to available experimental ro-vibrational data. Subsequently, the resulting potential energy curves are used to determine the radial property functions describing the spin–orbit, fine and hyperfine energy patterns of the spin-ro-vibrational energy levels by morphing their ab initio approximants or by a direct fitting to experiment. The resulting functions enable reliable predictions outside the so-far prospected energy regions and quantitative probing of the impacts of external perturbations on the observed spectra.

Název v anglickém jazyce

Radial molecular property functions of NO in its ground electronic state

Popis výsledku anglicky

Effective potential energy curves of the ground electronic states of the isotopomers of nitric oxide (NO) are constructed by morphing the best empirical potential energy function from the literature within the framework of the Jenč reduced potential energy curve (RPC) approach. The morphing is performed by fitting the RPC parameters to available experimental ro-vibrational data. Subsequently, the resulting potential energy curves are used to determine the radial property functions describing the spin–orbit, fine and hyperfine energy patterns of the spin-ro-vibrational energy levels by morphing their ab initio approximants or by a direct fitting to experiment. The resulting functions enable reliable predictions outside the so-far prospected energy regions and quantitative probing of the impacts of external perturbations on the observed spectra.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Quantitative Spectroscopy and Radiative Transfer

ISSN

0022-4073

e-ISSN

1879-1352

Svazek periodika

302

Číslo periodika v rámci svazku

July

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

5

Strana od-do

108562

Kód UT WoS článku

001054782200001

EID výsledku v databázi Scopus

2-s2.0-85150891903