Theoretical study of structures, stabilities, and phase transitions in some metal dihalide and dioxide polymorphs

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

1976 • 58,919 citations

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

Theory for the Forces between Closed-Shell Atoms and Molecules

1972 • 1,250 citations

Analytic Hartree-Fock Solutions for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mo>=</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

1958 • 552 citations

Theory of the lattice energy, equilibrium structure, elastic constants, and pressure-induced phase transitions in alkali-halide crystals

1975 • 237 citations

Modified electron-gas study of the stability, elastic properties, and high-pressure behavior of MgO and CaO crystals

1976 • 223 citations

Rutile-type compounds. V. Refinement of MnO₂ and MgF₂

1976 • 214 citations

B1-B2 Transition in Calcium Oxide from Shock-Wave and Diamond-Cell Experiments

1979 • 202 citations

Calculated mineral reactions in the Earth's mantle

1967 • 185 citations

Theory of binding of ionic crystals: Application to alkali-halide and alkaline-earth-dihalide crystals

1974 • 163 citations

Defect properties of ionic solids. II. Point defect energies based on modified electron-gas potentials

1979 • 149 citations

Equations of state and phase equilibria of stishovite and a coesitelike phase from shock-wave and other data

1972 • 117 citations

Single crystal analysis of the structure of stishovite

1978 • 116 citations

A Fluorite Isotype of SnO ₂ and a New Modification of TiO ₂ : Implications for the Earth's Lower Mantle

1978 • 116 citations

High-pressure phase transformations and compressions of ilmenite and rutile, I. Experimental results

1975 • 99 citations

Elastic and thermal properties of fluoride and oxide analogues in the rocksalt, fluorite, rutile and perovskite structures

1974 • 99 citations

High pressure phase transformations in MgF₂ (rutile)

1979 • 92 citations

The use of molecular-orbital calculations on model systems for the prediction of bridging-bond-angle variations in siloxanes, silicates, silicon nitrides and silicon suffides

1978 • 89 citations

The calculation of intermolecular forces. A critical examination of the Gordon-Kim model

1978 • 88 citations

New high‐pressure modifications of GeO₂ and SiO₂

1978 • 76 citations

High pressure synthesis of fluorite-type PbO2

1968 • 70 citations

The molecular geometries of coordination compounds in the vapour phase

1978 • 42 citations

Uber die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps. III. Zur Gittertheories des Rutiltyps

1961 • 41 citations

High-pressure phase transformations and compressions of ilmenite and rutile, II. Geophysical implications

1975 • 37 citations

Gleichgewichtslage der Atome, Doppelbrechung und optisches Drehungsverm�gen von ?-Quarz

1927 • 29 citations

Calculation of bond distances and heats of formation for BeO, MgO, SiO 2 , TiO 2 , FeO, and ZnO using the ionic model

1980 • 23 citations

Theory of binding of ionic crystals: Application to alkali-halide and alkaline-Earth-dihalide crystals

1988 • 22 citations

PHASE TRANSITIONS IN RUTILE-TYPE STRUCTURES

1977 • 17 citations

Calculation of bond distances and cohesive energies for gaseous halides using the modified electron gas ionic model

1979 • 8 citations