Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO+, HCO, HNO, HOO, HOO–, CH3 +, and CH3

Enthalpy of formation and anharmonic force field of diacetylene

(2009) Andrew C. Simmonett et al.   JOURNAL OF CHEMICAL PHYSICS

Higher-order explicitly correlated coupled-cluster methods

(2009) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Simplified models for anharmonic numbers and densities of vibrational states. II. All the bound states of HO2

(2008) J. Troe et al.   CHEMICAL PHYSICS

Simplified models for anharmonic numbers and densities of vibrational states. Part III: Resonance states of HO2

(2008) J. Troe et al.   CHEMICAL PHYSICS

Predictive electronic and vibrational many-body methods for molecules and macromolecules

(2008) So Hirata et al.   CHEMICAL PHYSICS LETTERS

Anharmonic vibrational frequencies and vibrationally averaged structures and nuclear magnetic resonance parameters of FHF−

(2008) So Hirata et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations

(2008) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

A procedure for computing accurate ab initio quartic force fields: Application to HO2+ and H2O

(2008) Xinchuan Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface

(2008) Shi Ying Lin et al.   JOURNAL OF CHEMICAL PHYSICS

Franck–Condon simulation of photoelectron spectroscopy of HOO−: Including Duschinsky effects

(2008) Renzhong Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Equations of explicitly-correlated coupled-cluster methods

(2008) Toru Shiozaki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Submillimeter-wave spectroscopy of HCO+ in the excited vibrational states

(2007) T. Hirao et al.   JOURNAL OF MOLECULAR SPECTROSCOPY