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CNDO calculations of diamagnetic shielding in molecules

Data up to Jan 2025

Published1970
Citations21
References26

Total Citations Per Year

Abstract

References (26)

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

1965 • 1,701 citations

Magnetic Shielding of Nuclei in Molecules

1950 • 1,380 citations

Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap

1965 • 1,074 citations

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

1951 • 753 citations

Molecular-Orbital Theory of Diamagnetism. I. An Approximate LCAO Scheme

1962 • 413 citations

Electronic Structure of CO and BF

1965 • 315 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

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

1966 • 248 citations

Studies in Molecular Structure. I. Scope and Summary of the Diatomic Molecule Program

1960 • 234 citations

The theory of carbon chemical shifts in N.M.R.

1964 • 221 citations

Calculation of Diamagnetic Shielding in Molecules

1968 • 207 citations

Approximate Hartree–Fock Wavefunctions, One-Electron Properties, and Electronic Structure of the Water Molecule

1968 • 173 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

Semi-empirical all valence electrons SCF-MO-CNDO theory

1968 • 129 citations

Theory of Nuclear Magnetic Shielding in Diatomic Molecules

1964 • 95 citations

Magnetic Properties and Dipole Moment of CO

1968 • 78 citations

Nitrogen-14 nuclear magnetic resonance. VI. Trigonally hybridized nitrogen atoms

1968 • 75 citations

13C Spin—Rotation Interaction and Magnetic Shielding at the Carbon and Oxygen Nuclei in Formaldehyde

1966 • 58 citations

Magnetic Shielding in Some Diatomic Molecules

1962 • 54 citations

Nuclear magnetic shielding constants calculated from numerical hartree-fock wave functions

2009 • 52 citations

Average-Excitation-Energy Approximation in the Calculation of Carbon-13 Chemical Shifts of Nitrogen Heterocyclics

1969 • 38 citations

Diamagnetic Nuclear Shielding Constants for Neutral Atoms

1964 • 35 citations

Calculation of One-Electron Properties for the Formaldehyde Molecule with the LCAO MO SCF Function of Foster and Boys

1966 • 32 citations

Calculation of Nitrogen Chemical Shifts

1968 • 25 citations

Approximate Theories of Chemical Shift

1967 • 15 citations

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