|
Molecular Modeling in Organic Chemistry |
|
|
1 | (2) |
|
Background for Molecular Modeling |
|
|
3 | (16) |
|
How to Use Energies to Calculate Thermodynamic and Kinetic Data |
|
|
4 | (3) |
|
Molecular Orbitals. Quantum Mechanics in Pictures |
|
|
7 | (5) |
|
Electron Densities. The Sizes and Shapes of Molecules |
|
|
12 | (4) |
|
Electrostatic Potential Maps. Molecular Charge Distributions |
|
|
16 | (3) |
|
Tutorial: How to Use Spartan View |
|
|
19 | (8) |
|
Molecular Modeling Problems |
|
|
27 | (64) |
|
Are All Chemical Bonds the Same? |
|
|
28 | (1) |
|
Resonance Structures. The Sum of the Parts |
|
|
29 | (1) |
|
Localized vs. Delocalized Charge |
|
|
30 | (1) |
|
Acid-Base Properties and Partial Charge |
|
|
31 | (1) |
|
Acid-Base Properties and Charge Delocalization |
|
|
32 | (1) |
|
|
|
33 | (1) |
|
Eclipsed vs. Staggered Tetrahedral Carbons |
|
|
34 | (1) |
|
Steric Control of Alkane Conformation |
|
|
35 | (1) |
|
Mechanism of Ring Inversion |
|
|
36 | (1) |
|
Steric Control of Ring Conformation |
|
|
37 | (1) |
|
What Do Transition States Look Like? |
|
|
38 | (1) |
|
Electronic Structure of Transition States |
|
|
39 | (1) |
|
|
|
40 | (1) |
|
Structure of Free Radicals |
|
|
41 | (1) |
|
Singlet and Triplet Methylene |
|
|
42 | (1) |
|
|
|
43 | (1) |
|
Chromatography and Molecular Polarity |
|
|
44 | (1) |
|
SN2 and Proton-Transfer Reactions |
|
|
45 | (1) |
|
Steric Hindrance of SN2 Reactions |
|
|
46 | (1) |
|
Stereochemistry of SN2 Reactions |
|
|
47 | (1) |
|
Stability of Carbocation Intermediates |
|
|
48 | (1) |
|
|
|
49 | (1) |
|
Skeletal Rearrangements of Carbocation Intermediates |
|
|
50 | (1) |
|
Conformational Control of E2 Elimination |
|
|
51 | (1) |
|
|
|
52 | (1) |
|
|
|
53 | (1) |
|
Stereochemistry of Alkene Hydrogenation |
|
|
54 | (1) |
|
Electrophilic Addition of Br2 to Alkenes |
|
|
55 | (1) |
|
|
|
56 | (1) |
|
Alkyne vs. Alkene Reactivity |
|
|
57 | (1) |
|
|
|
58 | (1) |
|
The Pinacol Rearrangement |
|
|
59 | (1) |
|
|
|
60 | (1) |
|
Resonance Control of Conformation |
|
|
61 | (1) |
|
|
|
62 | (1) |
|
Electron Flow in Diels-Alder Reactions |
|
|
63 | (1) |
|
Thermodynamic vs. Kinetic Control |
|
|
64 | (1) |
|
Addition vs. Substitution |
|
|
65 | (1) |
|
Huckel's Rule. Cyclooctatetraene |
|
|
66 | (1) |
|
Nucleophilicity of Benzene and Pyridine |
|
|
67 | (1) |
|
Imidazole and Pyrazole. Where is the Basic Site? |
|
|
68 | (1) |
|
|
|
69 | (1) |
|
|
|
70 | (1) |
|
Directing Effects on Electrophilic Nitration |
|
|
71 | (1) |
|
Nucleophilic Aromatic Substitution. Addition-Elimination |
|
|
72 | (1) |
|
Nucleophilic Aromatic Substitution. Benzyne |
|
|
73 | (1) |
|
Infrared Spectra of Carbony1 Compounds |
|
|
74 | (1) |
|
Push-Pull Resonance. The Basicity of para-Nitroaniline |
|
|
75 | (1) |
|
|
|
76 | (1) |
|
Intra and Intermolecular Hydrogen Bonding |
|
|
77 | (1) |
|
|
|
78 | (1) |
|
Enolate Acidity, Stability and Geometry |
|
|
79 | (1) |
|
|
|
80 | (1) |
|
|
|
81 | (1) |
|
|
|
82 | (1) |
|
|
|
83 | (1) |
|
Structure of the Double Helix |
|
|
84 | (1) |
|
Structure of Glycine in the Gas Phase and in Water |
|
|
85 | (1) |
|
|
|
86 | (1) |
|
Structure of Polypeptides |
|
|
87 | (1) |
|
Spin Traps and Radical Scavengers |
|
|
88 | (1) |
|
Fatty Acid and Fats. What Makes Good Soap? |
|
|
89 | (1) |
|
|
|
90 | (1) |
|
Spartan Build. An Electronic Model Kit |
|
|
91 | (6) |
| Index of Models |
|
97 | |
Other versions by this Author