Computational molecular spectroscopy

V Barone, S Alessandrini, M Biczysko… - Nature Reviews …, 2021 - nature.com
Spectroscopic techniques can probe molecular systems non-invasively and investigate their
structure, properties and dynamics in different environments and physico-chemical …

Accuracy and interpretability: The devil and the holy grail. New routes across old boundaries in computational spectroscopy

C Puzzarini, J Bloino, N Tasinato, V Barone - Chemical reviews, 2019 - ACS Publications
The past decade has witnessed an increasing interaction between experiment and theory in
the field of molecular spectroscopy. On the computational side, ongoing developments of …

2018 census of interstellar, circumstellar, extragalactic, protoplanetary disk, and exoplanetary molecules

BA McGuire - The Astrophysical Journal Supplement Series, 2018 - iopscience.iop.org
To date, 204 individual molecular species, comprised of 16 different elements, have been
detected in the interstellar and circumstellar medium by astronomical observations. These …

2021 census of interstellar, circumstellar, extragalactic, protoplanetary disk, and exoplanetary molecules

BA McGuire - The Astrophysical Journal Supplement Series, 2022 - iopscience.iop.org
To date, 241 individual molecular species, composed of 19 different elements, have been
detected in the interstellar and circumstellar medium by astronomical observations. These …

The UMIST database for astrochemistry 2012

D McElroy, C Walsh, AJ Markwick, MA Cordiner… - Astronomy & …, 2013 - aanda.org
We present the fifth release of the UMIST Database for Astrochemistry (UDfA). The new
reaction network contains 6173 gas-phase reactions, involving 467 species, 47 of which are …

Negative ions in space

TJ Millar, C Walsh, TA Field - Chemical reviews, 2017 - ACS Publications
Until a decade ago, the only anion observed to play a prominent role in astrophysics was H–
. The bound–free transitions in H–dominate the visible opacity in stars with photospheric …

Chemistry of dark clouds: databases, networks, and models

M Agúndez, V Wakelam - Chemical Reviews, 2013 - ACS Publications
The introduction of chemistry into astronomy is relatively recent and can be dated back to
about half a century ago, when molecules were discovered in space. In the 1930s it was …

Ion chemistry in space

M Larsson, WD Geppert, G Nyman - Reports on Progress in …, 2012 - iopscience.iop.org
We review the gas-phase chemistry in extraterrestrial space that is driven by reactions with
atomic and molecular ions. Ions are ubiquitous in space and are potentially responsible for …

Dust formation in the oxygen-rich AGB star IK Tauri

D Gobrecht, I Cherchneff, A Sarangi… - Astronomy & …, 2016 - aanda.org
Aims. We model the synthesis of molecules and dust in the inner wind of the oxygen-rich
Mira-type star IK Tau by considering the effects of periodic shocks induced by the stellar …

Abundance and excitation of molecular anions in interstellar clouds

M Agúndez, N Marcelino, B Tercero… - Astronomy & …, 2023 - aanda.org
We present new observations of molecular anions with the Yebes 40 m and IRAM 30 m
telescopes toward the cold, dense clouds TMC-1 CP, Lupus-1A, L1527, L483, L1495B, and …