Uncoupled Hartree-Fock calculations of the¹³C shielding by means ofab initioand NEMO-wavefunctions

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. I

1951 • 753 citations

Quelques aspects de la théorie des orbitales moléculaires

1949 • 654 citations

Effect of Electronegativity and Magnetic Anisotropy of Substituents on C13 and H1 Chemical Shifts in CH3X and CH3CH2X Compounds

1961 • 330 citations

Perturbed Hartree–Fock Theory. I. Diagrammatic Double-Perturbation Analysis

1969 • 289 citations

Molecular SCF Calculations on CH₄, C₂H₂, C₂H₄, C₂H₆, BH₃, B₂H₆, NH₃, and HCN

1966 • 248 citations

Theory of Localized Contributions to the Chemical Shift. Application to Fluorobenzenes

1961 • 229 citations

Origin of Rotational Barriers. I. Many-Electron Molecular Orbital Wavefunctions for Ethane, Methyl Alcohol, and Hydrogen Peroxide

1967 • 189 citations

Molecular Orbital Theory for Large Molecules. Approximation of the SCF LCAO Hamiltonian Matrix¹

1966 • 148 citations

Centrifugal Distortion in Asymmetric Top Molecules. I. Ordinary Formaldehyde,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></…

1951 • 116 citations

Self-Consistent Molecular Orbital Methods. XI. Molecular Orbital Theory of NMR Chemical Shifts

1971 • 111 citations

Basis of extended H�ckel formalism

1968 • 89 citations

Magnetic Properties of AlH and N2 from Coupled Hartree–Fock Theory

1971 • 63 citations

Quadrupole Relaxation and Structures in Nitrogen Magnetic Resonances of Ammonia and Ammonium Salts

1957 • 51 citations

Calculation of Magnetic Shielding Constants of Diatomic Molecules. I. General Theory and Application to HF Molecule

1966 • 42 citations

The Vibration-Rotational Spectrum of Methyl-d₃ Fluoride¹

1956 • 19 citations

THE ADDITIVITY OF CARBON-13 CHEMICAL SHIFTS IN THE CH₃X, C₂H₅X, i-C₃H₇X, t-C₄H₉X SERIES

1963 • 17 citations

Calculation of Proton Chemical Shifts

1970 • 9 citations

Berechnung von Kernspinkopplungskonstanten einfacher Kohlenwasserstoffe aus NEMO-Wellenfunktionen

1970 • 9 citations

The chemical shift. II. A study of ¹⁴N chemical shifts in nitrogen–oxygen–halogen compounds

1970 • 8 citations

The chemical shift. I. Approximate theory and application to first row binary fluorides

1970 • 7 citations