All Stories

  1. MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra and Definitive Ideal-Gas Thermochemistry of the 16O2 Molecule
  2. Controlling tunneling in ammonia isotopomers
  3. Promoting and inhibiting tunneling via nuclear motions
  4. MARVEL analysis of the rotational–vibrational states of the molecular ions H2D+ and D2H+
  5. Calibration-quality adiabatic potential energy surfaces for ${\rm H}_3^+$H3+ and its isotopologues
  6. The role of axis embedding on rigid rotor decomposition analysis of variational rovibrational wave functions
  7. The fourth age of quantum chemistry: molecules in motion
  8. Variational quantum mechanical and active database approaches to the rotational-vibrational spectroscopy of ketene, H2CCO
  9. Rotating full- and reduced-dimensional quantum chemical models of molecules
  10. On the efficiency of treating singularities in triatomic variational vibrational computations. The vibrational states of H+3 up to dissociation