Mechanism and Theory in Organic Chemistry |
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Page 13
... atomic orbitals . The density of shading is roughly proportional to 2 . diagrams ; the values merely approach closer and closer to zero as one goes farther and farther from the nucleus . Extension to Other Atoms The hydrogen atomic orbitals ...
... atomic orbitals . The density of shading is roughly proportional to 2 . diagrams ; the values merely approach closer and closer to zero as one goes farther and farther from the nucleus . Extension to Other Atoms The hydrogen atomic orbitals ...
Page 52
... orbitals from atomic orbitals described in Section 1.2 may be thought of as the consequence of a perturbation . A perturbation is a disturb- ance ( in this case the interaction between the atomic basis orbitals ) applied to a starting ...
... orbitals from atomic orbitals described in Section 1.2 may be thought of as the consequence of a perturbation . A perturbation is a disturb- ance ( in this case the interaction between the atomic basis orbitals ) applied to a starting ...
Page 95
... orbitals the correlation energy problem is particularly severe for the paired electrons in the same orbital ... atomic orbitals , LCAO . The idea behind this choice is that in the vicinity of a particular nucleus an electron should move ...
... orbitals the correlation energy problem is particularly severe for the paired electrons in the same orbital ... atomic orbitals , LCAO . The idea behind this choice is that in the vicinity of a particular nucleus an electron should move ...
Contents
THE COVALENT BOND | 1 |
Molecular Orbital Theory | 87 |
SOME FUNDAMENTALS OF PHYSICAL | 127 |
Copyright | |
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acetic acid-base acidity function addition alkene alkyl American Chemical Society anion Arnett aromatic atomic orbitals atoms base Brønsted C-X bond carbanion carbon carbonyl catalysis cation CH₂ CH3 CH3 charge Chem coefficients compounds configuration conjugate conjugate acid Copyright correlation delocalized diagram dissociation double bond electron electrophilic equilibrium constant example Figure free energy gas-phase H H H H₂O HOMO hydrogen interaction intermediate ion pair ionization isotope effect Jencks k₁ kcal kcal mol¹ kinetic kJ mol¯¹ leaving group LUMO mechanism methyl mol-¹ molecular orbitals molecule nucleophile occur Olah Organic Chemistry oxygen parameters phenyl Phys potential energy proton proton transfer racemic rate constant rate-determining ratio reactants reaction coordinate reactive rearrangement relative resonance ring Scheme Schleyer shown in Equation solution solvation solvent solvolysis stabilization steric Streitwieser structure substituents substitution substrate symmetry Table tion tosylate transition values vibrational Wiley Winstein York