The calculated rovibronic spectrum of scandium hydride, ScH

Study of the electronic and rovibronic structure of the X 2Σ+, A 2Π, and B 2Σ+ states of AlO

(2014) Andrei T. Patrascu et al.   JOURNAL OF CHEMICAL PHYSICS

Vibration–rotation transition dipoles from first principles

(2014) Jonathan Tennyson   JOURNAL OF MOLECULAR SPECTROSCOPY

Jet-cooled laser-induced fluorescence spectroscopy of ScH: Observation of an Ω′=2−Ω″=1 transition

(2014) Sheo Mukund et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Exomol molecular line lists – VI. A high temperature line list for phosphorus nitride

(2014) Leo Yorke et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

ExoMol molecular line lists V: the ro-vibrational spectra of NaCl and KCl

(2014) Emma J. Barton et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: Implementation and application to ScH

(2013) Mickaël Hubert et al.   JOURNAL OF CHEMICAL PHYSICS

ExoMol line lists – II. The ro-vibrational spectrum of SiO

(2013) Emma J. Barton et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Temperature-dependent molecular absorption cross sections for exoplanets and other atmospheres

(2012) Christian Hill et al.   ICARUS

ExoMol line lists - I. The rovibrational spectrum of BeH, MgH and CaH in theX 2Σ+state

(2012) Benjamin Yadin et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

ExoMol: molecular line lists for exoplanet and other atmospheres

(2012) Jonathan Tennyson et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Approximate theoretical model for the five electronic states (Ω=5/2, 3/2, 3/2, 1/2, 1/2) arising from the ground 3d9 configuration in nickel halide molecules and for rotational levels of the two Ω=1/2 states in that manifold

(2011) Jon T. Hougen   JOURNAL OF MOLECULAR SPECTROSCOPY

Optical Stark Spectroscopy of the D1Π−X1Σ+(0,0) Band of Scandium Monohydride

(2011) Anh Le et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Theoretical methods for small-molecule ro-vibrational spectroscopy

(2010) Lorenzo Lodi et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc–Zn

(2008) Nicholas J. Mayhall et al.   JOURNAL OF CHEMICAL PHYSICS