Theory of Isotropic Hyperfine Interactions in Pi‐Electron Free Radicals. I. Basic Molecular Orbital Theory with Applications to Simple Hydrocarbon Systems

1969 ◽  
Vol 50 (1) ◽  
pp. 511-529 ◽  
Author(s):  
M. T. Melchior
Keyword(s):  
Free Radicals ◽  
Molecular Orbital ◽  
Hyperfine Interactions ◽  
Molecular Orbital Theory ◽  
Orbital Theory

Applications of Quantum Chemistry. I. Energetics and Bonding in Conjugated Free Radical Chains

1971 ◽  
Vol 49 (2) ◽  
pp. 338-340 ◽  
Author(s):  
N. C. Baird
Keyword(s):  
Free Radicals ◽  
Free Radical ◽  
Quantum Chemistry ◽  
Molecular Orbital ◽  
Heats Of Formation ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Carbon Bond ◽  
Bond Lengths ◽  
Carbon Carbon Bond

The heats of formation at 25 °C and the equilibrium carbon–carbon bond lengths are calculated by the neglect of nonbonded differential overlap molecular orbital theory for a series of conjugated, acyclic free radicals containing from one to nine unsaturated carbon atoms. The total bonding energies in the radicals exceed the values expected from polyene bond terms by 5–9 kcal/mol, depending on the length and branching of the chain.

Bonding in Transition Metal Silyl Dimers. Molecular Orbital Theory

1989 ◽  
Author(s):  
Alfred B. Anderson ◽  
Paul Shiller ◽  
Eugene A. Zarate ◽  
Claire A. Tessier-Youngs ◽  
Wiley J. Youngs
Keyword(s):  
Transition Metal ◽  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory
Sign in / Sign up

Export Citation Format

Share Document