Journal ArticleDOI
The dipole moment of the C—H bond
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This article is published in Transactions of The Faraday Society.The article was published on 1942-01-01. It has received 144 citations till now. The article focuses on the topics: Bond dipole moment & Transition dipole moment.read more
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Journal ArticleDOI
Orthogonal and non-orthogonal hybrids
TL;DR: In this article, a wave function for XHn molecules is analyzed in terms of the hybridization concept and it is shown that for X from the first row (especially for carbon) the hybrid-AOs so obtained are close to orthogonal.
Journal ArticleDOI
Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds
Robert Ponec,David L. Cooper +1 more
TL;DR: It is demonstrated that domain-average Fermi hole (DAFH) analysis, which has previously been used at the Hartree-Fock level, remains useful after the proper introduction of electron correlation, and provides further insight into the geometry dependence of the extent of electron sharing in polar and non-polar systems.
Journal ArticleDOI
Electron pairing and chemical bonds. On the accuracy of the electron pair model of chemical bond
Robert Ponec,Filip Uhlik +1 more
TL;DR: The accuracy of the Lewis electron pair model of the chemical bond is investigated in this paper, and it is shown that, contrary to previous pessimistic findings, the accuracy of this model is high enough to represent a good basis for the understanding and interpretation of molecular structure.
Book ChapterDOI
Structure and Optical Properties
TL;DR: In this paper, the authors reviewed the properties of atomic and ionic refractions of elements and showed that refraction of a compound can be approximated by additive increments of atoms, functional groups, ions, or bonds.
Journal ArticleDOI
Valence-Shell Calculations on Polyatomic Molecules III. The Calculation of Dipole Moments and the Structure of Sydnone*
TL;DR: In this paper, an iterative Extended Huckel (IEH) method was used to calculate the dipole moment of a carbonyl compound, and the results showed that sydnone is best represented as a resonance stabilized azo-methine imine rather than as a “meso-ionic” or betaine type compound.