Force constants and equilibrium geometries in H2O2 and other small molecules containing an OH group

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Torsion–Vibration–Rotation Interactions in Methanol. I. Millimeter Wave Spectrum

1968 • 549 citations

PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides

1975 • 529 citations

Gaussian basis sets for the first and second row atoms

1970 • 497 citations

Estimation of Anharmonic Potential Constants. II. Bent XY2 Molecules

1965 • 321 citations

Studies of Hydrogen Peroxide: The Infrared Spectrum and the Internal Rotation Problem

1962 • 287 citations

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1970 • 205 citations

PNO-CI and CEPA studies of electron correlation effects

1974 • 188 citations

Methyl Alcohol. II. Molecular Structure

1955 • 160 citations

Ab initiocalculation of force constants and equilibrium geometries

1971 • 125 citations

Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane

1972 • 123 citations

Anharmonic force constants of water

1972 • 121 citations

Comparison of theab initioforce constants of ethane, ethylene and acetylene

1974 • 119 citations

Nuclear corrections to molecular properties. IV. Theory for low-lying vibrational states of polyatomic molecules with application to the water molecule near the Hartree-Fock limit

1974 • 95 citations

Hartree-Fock calculation of the harmonic force constants and equilibrium geometry of formaldehyde

1974 • 91 citations

Microwave Spectrum of Hydroxylamine

1972 • 90 citations

A Raman study of H₂O₂ and D₂O₂ vapor

1974 • 82 citations

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

1966 • 80 citations

Force Constants and Dipole Moment Derivatives of Ammonia from Hartree-Fock Calculations

1972 • 77 citations

Millimeter-Wave Spectrum and Structure of Hypofluorous Acid: HOF and DOF

1972 • 76 citations

Magnetic Exchange in Transition Metal Complexes. VII. Spin Coupling in μ4-Oxohexa-μ-halotetrakis [(Triphenylphosphine Oxide or Pyridine) Copper(II)]: Evidence for Antisymmetric Exchange

1972 • 70 citations

Hartree—Fock calculation of the barrier to internal rotation in hydrogen peroxide

1971 • 48 citations

Rotational Structure of the Infrared Absorption Spectrum of Hydrogen Peroxide Vapor

1958 • 39 citations

An ab initio calculation of the force field and vibrational frequencies of H2 CNH

1974 • 39 citations

Infrared spectra of deuterated methanols and force field

1974 • 39 citations

Centrifugal Distortion Analysis of Hypofluorous Acid: HOF and DOF

1972 • 37 citations

Gas-Phase Infrared Spectra of HOF and DOF

1972 • 35 citations

Ab initiocalculation of force constants for the linear molecules HCN, FCN, (CN)₂and the ion N₂F⁺

1975 • 35 citations

Molecular rotational Zeeman effect in HOF, a comparison with H2O, F2O, and other fluorine containing molecules; and dipole moments of HOF and DOF

1973 • 32 citations

Ab initio study of the force constants of inorganic molecules ONF and NF3

1974 • 27 citations

An ab initio calculation of the molecular structure and properties of hypofluorous acid

1973 • 19 citations

An ab initio Calculation of the Force Constants, Vibrational Frequencies, and Equilibrium Geometry of HCP

1975 • 12 citations

AB initio calculations of CH3OH vibrational force constants

1974 • 11 citations

The application of the Monte Carlo method to anharmonic force constant calculations

1975 • 10 citations

Mean Amplitudes of Vibration for Some X₂Y₂ molecules of C₂ symmetry

1969 • 6 citations

Electronic charge distribution in hof: AB initio result

1973 • 5 citations

Cited By (0)

Loading...