- On the Harmonic Oscillator Model of Electron Delocalization (HOMED) Index and its Application to Heteroatomic π-Electron Systems
2010/07/12 by Ewa D. Raczyńska, Małgorzata Hallman, Katarzyna Kolczyńska +1 · 1 citation
Chemistry · Materials Science · #Synthesis and Properties of Aromatic Compounds #Organic and Molecular Conductors Research #Crystallography and molecular interactions #Delocalized electron #Aromaticity #Electron delocalization #Heteroatom #Hyperconjugation #Electron #Chemistry #Resonance (particle physics) #Harmonic oscillator #Computational chemistry #Atomic physics #Physics #Quantum mechanics #Ring (chemistry) #Molecule #Organic chemistry
- The Physical Origin of Saytzeff’s Rule
2009/06/27 by Benoı̂t Braı̈da, Vinca Prana, Philippe C. Hiberty · 1 citation
Chemistry · #Ab initio #Alkene #Catalysis #Chemical Reaction Mechanisms #Chemistry #Computational chemistry #Hyperconjugation #Molecular orbital #Molecule #Organic Chemistry Cycloaddition Reactions #Organic chemistry #Philosophy #Synthesis and Properties of Aromatic Compounds #TRACE (psycholinguistics) #Valence (chemistry) #Valence bond theory
- The Magnitude of Hyperconjugation in Ethane: A Perspective from Ab Initio Valence Bond Theory
2004/03/30 by Yirong Mo, Wei Wu, Lingchun Song +3 · 4 citations
Physics and Astronomy · Chemistry · Chemical Engineering · #Advanced Chemical Physics Studies #Molecular spectroscopy and chirality #Catalysis and Oxidation Reactions #Hyperconjugation #Steric effects #Valence bond theory #Chemistry #Ab initio #Conformational isomerism #Valence (chemistry) #Computational chemistry #Ab initio quantum chemistry methods #Molecule #Stereochemistry #Molecular orbital #Organic chemistry
- Hyperconjugation not steric repulsion leads to the staggered structure of ethane
2001/05/01 by Vojislava Pophristic, Lionel Goodman · 3 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical physics #Chemistry #Computational chemistry #Crystallography #Eclipsed conformation #Geometry #Hyperconjugation #Molecular Spectroscopy and Structure #Molecular spectroscopy and chirality #Molecule #Organic chemistry #Rotation (mathematics) #Stereochemistry #Steric effects