Nature of Mo-Mo and Cr-Cr Multiple Bonds: A Challenge for the Local-Density Approximation

Local density theory of metallic cohesion

1977 • 260 citations

Density functional theory and molecular bonding. III. Iron-series dimers

1979 • 247 citations

Theory of alloy phase formation

1980 • 240 citations

Improved Quantum Theory of Many-Electron Systems. I. Construction of Eigenfunctions of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mover><mml:mrow><mml:mi>S</mml:mi></mml:mrow><mml:mrow><mml:mi>^</mml:mi></mml:mrow></mml:mover><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>Which Satisfy Pauli's Principle

1967 • 237 citations

Improved Quantum Theory of Many-Electron Systems. V. The Spin-Coupling Optimized GI Method

1969 • 209 citations

Discovering and understanding multiple metal-to-metal bonds

1978 • 177 citations

Theory of energy bands and related properties of 4d transition metals. III. s and d contributions to the equation of state

1978 • 160 citations

The "sextuple" bond of chromium dimer

1981 • 112 citations

On the electronic spectrum of the Mo2 molecule observed after flash photolysis of Mo(CO)6

1978 • 109 citations

Orbital optimization in electronic wave functions; equations for quadratic and cubic convergence of general multiconfiguration wave functions

1976 • 95 citations

Electronic structure of dimolybdenum tetraformate, dimolybdenum(4+) ion, and dimolybdenum

1977 • 95 citations

Dimolybdenum: nature of the sextuple bond

1980 • 62 citations

Molecular orbital theory of the diatomic molecules of the first row transition metals

1972 • 54 citations

Mass spectrometric observation and bond dissociation energy of dimolybdenum, Mo2(g)

1978 • 47 citations

Bimetal atom chemistry. 1. Synthesis, electronic absorption spectrum, and extended Hueckel/self-consistent field-X.alpha.-scattered wave molecular orbital analyses of the chromium-molybdenum (CrMo) molecule: relevance to alloy and bimetallic cluster catalysis

1977 • 37 citations

Electron correlation and the nature of the sextuple bond in the dimolybdenum molecule

1980 • 36 citations