Pseudopotential SCF–MO studies of hypervalent compounds. II. XeF+5 and XeF6

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons

1967 • 1,426 citations

Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120

1973 • 1,358 citations

Small Gaussian Expansions of Slater-Type Orbitals

1970 • 449 citations

Anharmonic Potential Constants and Their Dependence upon Bond Length

1961 • 402 citations

The valence-shell electron-pair repulsion (VSEPR) theory of directed valency

1963 • 378 citations

The Chemistry of Xenon

1965 • 125 citations

Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54

1974 • 121 citations

Molecular Structure of XeF6. II. Internal Motion and Mean Geometry Deduced by Electron Diffraction

1968 • 118 citations

A b i n i t i o studies of the electronic structrue of UF6, UF6+, and UF−6 using relativistic effective core potentials

1979 • 117 citations

Molecular Structure of XeF6. I. Analysis of Electron-Diffraction Intensities

1968 • 107 citations

The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction

1963 • 94 citations

Average Structures of t-Butyl Chloride and 9D-t-Butyl Chloride Determined by Gas-Phase Electron Diffraction

1971 • 83 citations

Comparison of Experimentally Derived and Theoretically Calculated Derivatives of the Energy, Kinetic Energy, and Potential Energy for CO

1966 • 80 citations

The General Solution of the Secular Equation of Second Degree, with Application to the Class A1 Vibrations of the Symmetrical Triatomic Molecule

1949 • 80 citations

Relativistic molecular wavefunctions: XeF2

1974 • 78 citations

Molecular force fields of octahedral XF6 molecules

1968 • 77 citations

Raman Spectra for XeF2, XeF4, and XeOF4 Vapors, and Force Constant Calculations

1971 • 76 citations

The Xenon-Fluorine System

1966 • 76 citations

Crystal structures of [xenon fluoride(+)][ruthenium hexafluoride(-)] and [xenon pentafluoride(+)][ruthenium hexafluoride(-)]

1973 • 74 citations

Infrared spectroscopic study on the co-ordination bond-I

1962 • 69 citations

Structure, Pseudorotation, and Vibrational Mode Coupling in IF7: An Electron Diffraction Study

1970 • 66 citations

Self-Consistent-Field Study of the Series XeFn, n = 2, 4, 6

1971 • 66 citations

Crystal structure of [XeF5+]2[PdF62-]

1973 • 62 citations

Molecular structure of XeF6

1975 • 62 citations

On pseudopotential and effective-potential SCF theory and its application to compounds of heavy elements

1975 • 60 citations

Spectral Observations on Molecular XeF6: Raman Scattering and Infrared, Visible and Ultraviolet Absorption in the Vapor and in Matrix Isolation

1972 • 58 citations

Molecular Structure of XeF6 and IF7

1968 • 53 citations

Infrared and Raman Spectra of Krypton Difluoride

1965 • 53 citations

Crystal structure of potassium pentafluorotellurate(KTeF5)

1970 • 50 citations

Gas-Phase Structure of XeF2

1969 • 48 citations

Gas-phase ESCA studies of valence and core levels in xenon difluoride and xenon tetrafluoride

1978 • 47 citations

Vibrational Spectra of IF7 and ReF7

1968 • 42 citations

Bond lengths of vibrationally hot AXn molecules. A simple treatment

1979 • 41 citations

Structures of the MF2E type. Crystal structure of ammonium pentafluoroantimonate(III)

1972 • 41 citations

Crystal structure of the 1:1 molecular addition compound xenon difluoride-iodine pentafluoride, XeF2.IF5

1970 • 41 citations

Electronic and geometric structure of the free XeF6 molecule

1974 • 38 citations

Heat Capacity and Other Thermodynamic Functions of Xenon Hexafluoride from 5 to 350°K

1969 • 38 citations

Electronic States and Molecular Geometry of Xenon Hexafluoride: A Case of Electronic Isomerism

1972 • 37 citations

Molecular Structure of XeF6

1965 • 36 citations

On the Structure of Gaseous XeF6

1966 • 34 citations

He<scp>i</scp> and He<scp>ii</scp> Photoelectron Spectra and the Electronic Structures of XeF2, XeF4, and XeF6

1971 • 33 citations

Inference of vibrational anharmonicity in hot SF6: An electron diffraction study

1979 • 32 citations

The structure of molecular effective potentials in compounds of heavy elements, with application to I2

1977 • 32 citations

Structures of hexacoordinate compounds of main-group elements. 2. A combined electron diffraction-microwave study of iodine fluoride oxide (IOF5)

1976 • 31 citations

Electron correlation and the reality of xenon difluoride

1975 • 31 citations

Electronic structure and properties of krypton difluoride

1972 • 30 citations

Crystal-field model study of the xenon hexafluoride molecule. I. Energy levels and molecular geometry

1974 • 28 citations

Nonrigid molecule effects on the energy levels of XeF₆

1977 • 25 citations

Force Fields in KrF2 and XeF2

1966 • 24 citations

The monomeric character of xenon hexafluoride vapor. The mass spectroscopy of noble gas binary fluorides and xenon oxide tetrafluoride

1977 • 22 citations

Magnetic-Field Deflection of XeF6

1967 • 21 citations

Ms-Zα calculation of the energy-level structure of XeF6

1972 • 19 citations

The molecular structure of iodine pentafluoride: an analysis of electron diffraction data and the microwave B0 rotational constant

1979 • 19 citations

Pseudopotential SCF–MO studies of hypervalent compounds. I. XeF2 and XeF4

1980 • 17 citations

Electric field deflection of molecules with large amplitude motions

1975 • 16 citations

C&amp;EN feature

1964 • 15 citations

A search for the infrared fundamental of matrix-isolated XeF

1977 • 13 citations

Electrical resistivity change in cold-worked tungsten wires during recovery and recrystallization

1964 • 8 citations

Normal coordinate analysis of XeF₄in the Urey-Bradley Field

1965 • 8 citations

Molecular Geometry. VonR. J. Gillespie. Van Nostrand Reinhold Comp., London 1972. 1. Aufl., IX, 228 S., zahlr. Abb. u. Tab., geb. ca. DM 38.—

1974 • 8 citations

Calculations of electronic structure for compounds of inert gases and halogens by MO LCAO SCF method

1974 • 5 citations

A decoupled rigid bender model for the anharmonic force field of octahedral molecules

1979 • 4 citations