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 …

The CcCR quartic force field (QFF) methodology is capable of computing B 0 and C 0
rotational constants to within 35 MHz (0.14%) of experiment for triatomic and larger …

To date, 204 individual molecular species, comprised of 16 different elements, have been
detected in the interstellar and circumstellar medium by astronomical observations. These …

To date, 241 individual molecular species, composed of 19 different elements, have been
detected in the interstellar and circumstellar medium by astronomical observations. These …

Chemical equilibrium has proven extremely useful for predicting the chemical composition of
AGB atmospheres. Here we use a recently developed code and an updated thermochemical …

Despite more than one hundred years of work on organosilicon chemistry, the basis for the
plausibility of silicon-based life has never been systematically addressed nor objectively …

During their thermally pulsing phase, asymptotic giant branch (AGB) stars eject material that
forms extended dusty envelopes. Visible polarimetric imaging found clumpy dust clouds …

In this review, the origins of astrochemistry and the initial applications of quantum chemistry
to the discovery of new molecules in space are discussed. Furthermore, more recent …

A hybrid quartic force field approach produces the same accuracies as non‐hybrid methods
but for less than one quarter of the computational time. This method utilizes explicitly …

Aims. We aim to investigate the physical and chemical properties of the molecular envelope
of the oxygen-rich AGB star IK Tau. Methods. We carried out a millimeter wavelength line …