Contenu d'un ouvrage

Titre de l'ouvrage : Orbital Interaction Theory of Organic Chemistry (A. Rauk, 2001)

Num. Chap.	Titre du chapitre	Page
1	Symmetry and Stereochemistry	1
2	Molecular Orbital Theory	20
3	Orbital Interaction Theory	34
4	Sigma Bonds and Orbital Interaction Theory	72
5	Simple Hückel Molecular Orbital Theory	86
6	Reactions and Properties of π Bonds	98
7	Reactive Intermediates	105
8	Carbonyl Compounds	121
9	Nucleophilic Substitution Reactions	129
10	Bonds to Hydrogen	137
11	Aromatic Compounds	150
12	Pericyclic Reactions	161
13	Organometallic Compounds	175
14	Orbital and State Correlation Diagrams	196
15	Photochemistry	209

Chapitre 2 : Molecular Orbital Theory	Page
Electronic Schrödinger Equation (A.1)	21
Fock Equations (A.42)	23
The Basis Set (STO-3G, 6-31G*, and All That)	24
Orbital Energies and Orbitals	25
Representation of MOs	27
Total Energies and the Hartree-Fock Limit	29
Successes and Failures of Hartree-Fock Theory	29
Beyond Hartree-Fock	30
Density Functional Theory	31
Geometry Optimization	31
Normal Coordinates and Harmonic Frequency Analysis	32
Zero Point Vibrational Energies	33