Electronic Structure and Inversion Barrier of Ammonia

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

VIBRATION–ROTATION BANDS OF AMMONIA: II. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA

1957 • 381 citations

Potential Function for the Inversion of Ammonia

1962 • 277 citations

Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl Reaction

1967 • 234 citations

One-Center Basis Set SCF MO's. II. NH3, NH4+, PH3, PH4+

1964 • 113 citations

Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. II. The Ammonia Molecule

1963 • 85 citations

Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4

1967 • 82 citations

Electronic Structures of NH, NH2, and NH3

1956 • 75 citations

Study of the Electronic Ground State of the Ammonia Molecule

1957 • 72 citations

Electronic Structure of Ammonia

1957 • 70 citations

LCAO SCF Computations for Ammonia

1966 • 67 citations

Self-Consistent-Field Wavefunctions and Computed Potential-Energy Curves for the NH3 and NH Molecules, in One-Center Approximation

1965 • 53 citations

Potential Energy Constants, Rotational Distortion Constants, and Thermodynamic Properties for NH3, ND3; PH3, PD3; AsH3, and AsD3

1960 • 46 citations

Heats of Reaction from Hartree—Fock Energies of Closed-Shell Molecules

1967 • 46 citations

SCF Wavefunctions for the NH3 Molecule. Potential-Energy Surface and Vibrational Force Constants

1968 • 45 citations

X-ray scattering by `neon-like' molecules

1956 • 43 citations

Simple one-centre calculation of breathing force constants and equilibrium internuclear distances for NH₃, H₂O and HF

1963 • 41 citations

One-Center-Expansion—Configuration-Interaction Studies on CH4 and NH3

1966 • 24 citations

``Bond-Orbital'' and ``Modified Electron-Pair'' Calculations on the Ammonia Molecule

1963 • 24 citations

Single-Center Calculation of NH3

1966 • 16 citations

Convergent S. C. F. Wave Function and Properties of the Ammonia Molecule

1965 • 16 citations

Double orbital exponent SCF functions for H2O, NH3, CH4

1968 • 10 citations

Eine VB-CI-Beredinung des Ammoniakmoleküls

1966 • 2 citations

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