Structural dependence of the singlet-triplet gap in doubly bridged copper dimers: a variational CI calculation

Valence bond description of antiferromagnetic coupling in transition metal dimers

Louis Noodleman · The Journal of Chemical Physics · 1981 · 2.5K citations

Natural Sciences, Chemistry, Physics +17

Orbital interactions in metal dimer complexes

P. Jeffrey Hay, Jack C. Thibeault, Roald Hoffmann · Journal of the American Chemical Society · 1975 · 1.3K citations

Natural Sciences, Chemistry, Inorganic Chemistry +15

Configuration interaction in orbital theories

R. K. Nesbet · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1955 · 601 citations

Natural Sciences, Chemistry, Physics +15

Electronic structure, magnetic properties, ESR, and optical spectra for 2-iron ferredoxin models by LCAO-X.alpha. valence bond theory

Louis Noodleman, Evert Jan Baerends · Journal of the American Chemical Society · 1984 · 526 citations

Natural Sciences, Chemistry, Magnetic Materials +10

Specific CI calculation of energy differences: Transition energies and bond energies

Josefa Miralles, O. Castell, Rosa Caballol et al. · Chemical Physics · 1993 · 445 citations

Natural Sciences, Chemistry, Physics +11