A new version of the MQCT program is presented, which includes an important addition,
adiabatic trajectory approximation (AT-MQCT), in which the equations of motion for the …

Using the Yebes 40 m and IRAM 30 m radiotelescopes, we detected two series of
harmonically related lines in space that can be fitted to a symmetric rotor. The lines have …

Several nitrogen-bearing molecules, such as methyl cyanide (or acetonitrile, CH3CN) and
methyl isocyanide (CH3NC) of interest here, have been observed in various astrophysical …

Aims. We present an improved database of temperature-dependent rate coefficients for
rotational state-to-state transitions in H 2 O+ H 2 O collisions. The database includes 231 …

Aims. We present new calculations of collision cross sections for state-to-state transitions
between the rotational states in an H 2 O+ H 2 O system, which are used to generate a new …

A computationally affordable methodology is developed to predict cross sections and rate
coefficients for collisional quenching and excitation of large molecules in space, such as …

The extension of mixed quantum/classical theory (MQCT) to describe collisional energy
transfer is developed for a symmetric-top-rotor+ linear-rotor system and is applied to ND3+ …

A hierarchy of approximate methods is proposed for solving the equations of motion within a
framework of the mixed quantum/classical theory (MQCT) of inelastic molecular collisions. Of …

Observations of low-mass protostellar systems show evidence of rich, complex organic
chemistry. Their low luminosity, however, makes determining abundance distributions of …

Rotational inelastic scattering of silyl cyanide (SiH3CN) molecule with helium (He) atoms is
investigated. Three-dimensional potential energy surface (3D-PES) for the SiH3CN–He …