Quantum chemistry can uniquely answer astrochemical questions that no other technique
can provide. Computations can be parallelized, automated, and left to run continuously …

By 2050, many, but not nearly all, unattributed astronomical spectral features will be
conclusively linked to molecular carriers (as opposed to nearly none today in the visible and …

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 …

Context. Detailed astrochemical models are a key component to interpret the observations of
interstellar and circumstellar molecules since they allow important physical properties of the …

Quantum chemical cluster calculations employing density functional theory and correlation
consistent basis sets reveal the following pathways by which hydroxide anions (OH–) may …

Continuing Q-band (31–50 GHz) integrations on IRC+ 10216 with the Yebes 40 m telescope
have now reached sub-millikelvin noise with hundreds of new lines arising above an …

Context. Indene, a small PAH, has been detected in the gas phase in the cold dense cloud
TMC-1. Due to the low temperature in the cloud, below indene condensation temperature, its …

ABSTRACT N-heterocycles are of special relevance in astrobiology but at present no
nitrogen-containing heterocycles have been detected in the interstellar medium (ISM). Thus …

We used new high spectral resolution observations of propynal (HCCCHO) toward TMC-1
and in the laboratory to update the spectral line catalog available for transitions of HCCCHO …

The propargyl cation, H2CCCH+, is a crucial hydrocarbon precursor in the chemical
evolution of the interstellar medium (ISM). It serves as a key intermediate for understanding …