Calculations on the permanganate ion in the ground and excited states

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

1971 • 2,165 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

The Spectra and Electronic Structure of the Tetrahedral Ions MnO4−, CrO4−−, and ClO4−

1952 • 1,468 citations

A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions

1973 • 355 citations

Localized and Delocalized 1s Hole States of the O 2 + Molecular Ion

1972 • 328 citations

Approximate Atomic Wavefunctions

1971 • 287 citations

Gaussian basis sets for molecular wavefunctions containing third-row atoms

1971 • 258 citations

Core-Electron Binding Energies and Slater Atomic Shielding Constants

1971 • 170 citations

Faraday Effect of Charge-Transfer Transitions in Fe(CN)63−, MnO4−, and CrO42−

1966 • 154 citations

Contribution of atomic orbital integrals to symmetry orbital integrals

1973 • 148 citations

Low temperature absorption spectra of KMnO4 in KClo4

1967 • 140 citations

Soft x-ray band spectra and molecular orbital structure of Cr2O3, CrO3, CrO4−2 and Cr2O7−2

1971 • 106 citations

Crystal structure of potassium permanganate

1967 • 103 citations

Electronic Structure of the MnO4−, CrO42—, and VO43— Ions from the Metal K X-Ray Spectra

1966 • 97 citations

Ab initio molecular orbital calculations of the ground and excited states of the permanganate and chromate ions

1970 • 77 citations

Scattered-wave model for the electronic structure and optical properties of the permanganate ion

1971 • 68 citations

Intensities in the x-ray photoelectron spectra and electronic structures of the oxyanions of Si, P, S, Cl, Mn, and Cr

1974 • 67 citations

Electron resonance studies of transition metal oxyions, I. Experimental results for the manganate, hypomanganate and ferrate ions

1960 • 63 citations

Ab initio calculations of the excited states of the permanganate and chromate ions

1971 • 57 citations

Moment Analysis of Magnetic Circular Dichroism: Diamagnetic Molecular Solutions

1971 • 57 citations

Ab initiomolecular orbital calculations of transition metal complexes

1972 • 54 citations

SCF LCAO MO calculation for MnO−4

1972 • 49 citations

Vacuo ultraviolet spectra of permanganate, pertechnetate and perrhenate

1969 • 48 citations

Electronic transitions of permanganate and manganate ions in the near infrared

1970 • 46 citations

Electron resonance studies of transition metal oxyions - II. Theory of electron resonance in manganate

1960 • 37 citations

Electronic Absorption Spectrum of LiMnO4·3H2O in LiClO4·3H2O

1971 • 36 citations

ESR and Optical Spectroscopy of MnO4 2− in BaSO4

1972 • 33 citations

Use of Soft X-Ray Band Spectra for Determining Molecular Orbital Structure. I. Vanadium Octahedral and Tetrahedral Sites

1971 • 29 citations

Confirmation of the red band system in MnO₄^-as¹T₁←¹A₁from the effect of pressure on single crystal absorption spectra

1972 • 29 citations

Electronic Absorption Spectrum of MnO4− in the Far-Red Region

1971 • 29 citations

Studies of the valence electron levels of chromate(2-), dichromate(2-), permanganate(1-), vanadate(3-), and ferrate(2-) by x-ray photoelectron spectroscopy

1973 • 28 citations

Valence region x-ray photoelectron spectra of MnO−4 and CrO2−4

1972 • 24 citations

Electronic absorption spectrum of Ba(MnO4)2·3H2O/Ba(ClO4)2·3H2O

1971 • 24 citations

An Ab Initio study of the permanganate ion

1973 • 22 citations

The orbital-product expansion method for the evaluation of two-electron integrals applied to a calculation on MnO4−

1971 • 22 citations

Magnetic circular dichroism spectrum of the permanganate ion in Ba(ClO4)2·3H2O at 4.2°K

1972 • 20 citations

An ab initio study of the ground and low-lying excited states of the permanganate ion

1975 • 20 citations

Die K-Kanten-Feinstruktur von Komplexen der Übergangselemente Chrom bis Zink (Teil III)

1957 • 14 citations