Computational study of the rovibrational spectrum of (OCS)2

The vibration–rotation–tunneling spectrum of the polar and T-shaped-N-in isomers of (NNO)2

(2011) Xiao-Gang Wang et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Infrared spectrum of the CS2 trimer: observation of a structure with D3 symmetry

(2011) M. Rezaei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Assigning quantum labels to variationally computed rotational-vibrational eigenstates of polyatomic molecules

(2010) Edit Mátyus et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrous oxide dimer: A new potential energy surface and rovibrational spectrum of the nonpolar isomer

(2010) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets

(2009) J. Grant Hill et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrous oxide dimer: An ab initio coupled-cluster study of isomers, interconversions, and infrared fundamental bands, and experimental observation of a new fundamental for the polar isomer

(2009) G. M. Berner et al.   JOURNAL OF CHEMICAL PHYSICS

Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions

(2008) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar

(2008) Kirk A. Peterson et al.   JOURNAL OF CHEMICAL PHYSICS

Measurement and revised analysis of the torsional combination band of the nonpolar N2O dimer at 2249 cm−1

(2008) M. Dehghany et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS