A study of the electronic structures of SN, S2N2, S4N4, NO, and N2O2 and their implications for (SN)x

Optimization of the Statistical Exchange Parameter<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>for the Free Atoms H through Nb

1972 • 1,172 citations

Superconductivity in Polysulfur Nitride<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">SN</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mi>X</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>

1975 • 390 citations

Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

1972 • 376 citations

Polysulfur Nitride—a One-Dimensional Chain with a Metallic Ground State

1973 • 316 citations

SCF‐X αSW calculations on PH₃ using a nonempirical scheme for choosing overlapping‐sphere radii

1974 • 253 citations

Computational Methods for Large Molecules and Localized States in Solids

1973 • 225 citations

Infrared Spectrum, Structure, and Heat of Formation of Gaseous (NO)2

1970 • 201 citations

Quantum Chemistry

1975 • 179 citations

Multiple scattering method based on overlapping atomic spheres with application to the TCNQ molecule

1974 • 158 citations

On the use of overllapping spheres in the SCF Xα scattered-wave method

1973 • 152 citations

The crystal and molecular structure of sulfur nitride, S4N4

1963 • 142 citations

Low-Temperature Specific Heat of Polysulfur Nitride,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">SN</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>

1975 • 113 citations

Comments on the structure of 1,2-dichloroethane and N₂O₂

1961 • 107 citations

Generalized orbital description of the reactions of small molecules

1971 • 107 citations

Electrical conductivity of polysulfur nitride

1974 • 95 citations

On the crystal and molecular structure of N2O2

1953 • 93 citations

Optical Reflectance of Polymeric Sulfur Nitride Films from the Ultraviolet to the Infrared

1975 • 91 citations

Electric dipole moments of open-shell diatomic molecules

1971 • 89 citations

High-Precision Radiofrequency Spectrum of ^{14}N ^{16}O

1970 • 86 citations

Generalized valence bond wavefunctions for the low lying states of methylene

1972 • 81 citations

Epitaxial crystalline films of the metallic polymer (SN)x

1975 • 80 citations

Crystal and molecular structure of S2N2(SbCl5)2

1969 • 52 citations

Dissociation Energies, Enthalpies of Formation, Ionization Potentials, and Dipole Moments of NS and NS+

1970 • 46 citations

Calculated properties for no X2Π and A2Σ+

1972 • 43 citations

The Vibrational Spectra and Structure of Nitrogen Tetrasulfide

1953 • 39 citations

The calculation of the electric dipole moment of CO

2009 • 37 citations

On the Electronic Structure of Tetranitrogen Tetrasulfide

1966 • 35 citations

Dipole Relaxation in a Liquid Crystal

1970 • 33 citations

Calculated properties for No X2 Π and A 2Σ+. II. Configuration interaction

1973 • 32 citations

The Electronic Structure and Localized Molecular Orbitals in S₄N₄ by the CNDO/BW Theory

1975 • 30 citations

Electronic Properties of Polysulfur Nitride

1962 • 29 citations

Dipole moments and electric field gradients for correlated wavefunctions of NO: The X 2 Π, A 2 Σ + , and D 2 Σ + states

1975 • 28 citations

Comment on “Structure of (NO)₂ in the Molecular Crystal”

1971 • 27 citations

Rotational Analysis of the Band System of the NS Molecule

1954 • 24 citations

Structure of (NO)2 in the Molecular Crystal

1971 • 17 citations

Recent improvements in the muffin-tin method

2009 • 14 citations

The Reaction of Active Nitrogen with Sulfur^1a

1964 • 12 citations

Chimiluminescence du radical NS

1967 • 11 citations

Recent applications of the SCF-Xα scattered-wave method to complex molecules and solids

2009 • 3 citations

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