Electronic structure and rovibrational properties of ZnOH in the X̃2A′ electronic state: A computational molecular spectroscopy study

Sapporo-(DKH3)-nZP (n = D, T, Q) sets for the sixth period s-, d-, and p-block atoms

(2013) Takeshi Noro et al.   THEORETICAL CHEMISTRY ACCOUNTS

Broad photoelectron spectrum and lowered electron affinity due to hydrogen in ZnOH: A joint experimental and theoretical study

(2012) I. Iordanov et al.   JOURNAL OF CHEMICAL PHYSICS

Geometries and electronic structures of the ground and low-lying excited states of FeCO: An ab initio study

(2012) Tsuneo Hirano et al.   JOURNAL OF CHEMICAL PHYSICS

Gas-Phase Synthesis and Structure of Monomeric ZnOH: A Model Species for Metalloenzymes and Catalytic Surfaces

(2012) Lindsay N. Zack et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n = D, T, Q)

(2012) Takeshi Noro et al.   THEORETICAL CHEMISTRY ACCOUNTS

Electronic structures and rovibronically averaged geometries of the X̃ A6i′ and Ã A6i″ states of FeOH

(2010) Tsuneo Hirano et al.   JOURNAL OF CHEMICAL PHYSICS

Large amplitude bending motion in CsOH, studied through ab initio-based three-dimensional potential energy functions

(2010) Tsuneo Hirano et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

The predicted spectrum of FeOH in its Renner-degenerate and electronic states

(2009) Tsuneo Hirano et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Computational molecular spectroscopy for NiCN: Large-amplitude bending motion

(2008) Tsuneo Hirano et al.   JOURNAL OF MOLECULAR SPECTROSCOPY