Structural and energetic characteristics of electron deficient M2H6 compounds from a density functional approach

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1986 • 17,918 citations

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

1986 • 4,006 citations

Application of density functional theory to infrared absorption intensity calculations on main group molecules

1992 • 250 citations

An example of numerical nonconvergence of a variable-metric method

1985 • 159 citations

Gallane: synthesis, physical and chemical properties, and structure of the gaseous molecule Ga2H6 as determined by electron diffraction

1991 • 153 citations

A Reinvestigation of the Structures of Diborane and Ethane by Electron Diffraction^1,2

1951 • 131 citations

The Absorption Spectrum of Diborane

1948 • 125 citations

Gaussian density functional calculations on the allyl and polyene radicals: C3H5 to C11H13

1991 • 102 citations

Gallane at last! Synthesis and properties of binary gallium hydride

1989 • 96 citations

Electronegativity and Lewis acid strength

1990 • 90 citations

Geometries, singlet-triplet separations, dipole moments, ionization potentials, and vibrational frequencies in methylene (CH2) and halocarbenes (CHF, CF2, CCl2, CBr2, and CI2)

1992 • 86 citations

The known and unknown group 13 hydride molecules M2H6: Diborane(6), dialane(6), and digallane(6)

1992 • 55 citations

The Structure of Diborane

1947 • 48 citations

The structure of the diborane molecule

1984 • 48 citations

Observation of the gas-phase infrared spectrum of BH3

1987 • 44 citations

Calculation of equilibrium geometries and harmonic frequencies by theLCGTO-MCP-local spin density method

1990 • 43 citations

Dimerization energy of borane

1987 • 42 citations

Ground state rotational parameters and fundamental vibration frequencies for isotopically substituted diboranes

1985 • 37 citations

A coupled-cluster and MBPT study of B2H6 and BH3

1987 • 37 citations

Absolute rate of association of borane molecules

1970 • 36 citations

The empirical harmonic potential function of diborane

1983 • 35 citations

Gallaborane, H₂Ga(µ-H)₂BH₂: synthesis, properties, and structure of the gaseous molecule as determined by electron diffraction

1990 • 35 citations

Analysis of diborane X-ray diffraction data utilizing structure factors calculated from molecular wave functions

1970 • 33 citations

Transition-metal tetrahydroborate complexes as catalysts. 1. Nonempirical determination of static, dynamic, and chemical properties of the model compounds sodium tetrahydroborate and aluminum borate (AlH2BH4)

1981 • 24 citations

Ab initio molecular orbital study of boron, aluminum, gallium .mu.-hydrido-bridged hexahydrides

1991 • 23 citations

Ab initio pseudopotential study of the fluxional behavior in tetrahydroborate complexes. Many‐body contributions to the energy barriers of NaBH₄, AlH₂BH₄, and GaH₂BH₄

1988 • 12 citations

A theoretical characterization of the structure formation enthalpy, and fluzional behaviour of B2H6 and AlBH6

1989 • 8 citations