Electronic structure of the [MgO3]+ cation

Determining the Numerical Stability of Quantum Chemistry Algorithms

(2011) Gerald Knizia et al.   Journal of Chemical Theory and Computation

Theoretical investigations of the MgO+cation: spectroscopy, spin–orbit coupling and single ionization spectrum

(2011) A Maatouk et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Electronic states of MgO: Spectroscopy, predissociation, and cold atomic Mg and O production

(2010) A. Maatouk et al.   JOURNAL OF CHEMICAL PHYSICS

A theoretical study on the mechanisms of the N2(X1) + O+(4Su) reaction involving the 14A″ and X2Π states of the N2O+ion and the predissociation of the X2Π state

(2010) Hai-Bo Chang et al.   MOLECULAR PHYSICS

Benchmarks for the generation of interaction potentials for scattering calculations: applications to rotationally inelastic collisions of C4 (X3Σ−g) with He

(2010) François Lique et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ionospheric chemistry: Theoretical treatment of ONOO+ and of NO3+

(2009) H. Ndome et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory

(2009) Guntram Rauhut et al.   JOURNAL OF CHEMICAL PHYSICS

Titan’s Ionic Species: Theoretical Treatment of N2H+and Related Ions†

(2009) V. Brites et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic structure and spectroscopy of the cation

(2008) O. Yazidi et al.   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