Applications of Diatomics-in-Molecules Theory. II. Prediction of a Stable Li3 Molecule

Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen Molecule

1965 • 1,371 citations

A Method of Diatomics in Molecules. I. General Theory and Application to H₂O

1963 • 567 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

Potential Energy Functions for Diatomic Molecules

1941 • 376 citations

A Method of Diatomics in Molecules. II. H and H₃⁺¹

1963 • 132 citations

Extended Hartree—Fock Ground-State Wavefunctions for the Lithium Molecule

1967 • 131 citations

Empirical Evaluation of the London Potential Energy Surface for the H + H2 Reaction

1964 • 78 citations

Method of Diatomics in Molecules. IV. Ground and Excited States of H3+, H4+, H5+, and H6+

1967 • 51 citations

Modified Semiempirical Approach to the H3 Potential-Energy Surface

1967 • 42 citations

Theoretical Prediction of Stable Li3+

1965 • 37 citations

Applications of Diatomics-in-Molecules Theory. I. Prediction of Stable LiH2 and Li2H Molecules

1968 • 36 citations

Method of Diatomics in Molecules. V. Theoretical Prediction of Stable Li2H+ and Almost Stable LiH2+

1967 • 35 citations

Summary of LCAO computations of energy and electronic structures of the molecule Li2 in the ground state and in some excited states

1963 • 16 citations

On the Theoretical Calculation of Vibrational Frequencies and Intensities of Polyatomic Molecules; H3+, H2D+, HD2+, and D3+

1965 • 16 citations