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Molecular Modeling Workbook(workbook includes SPartan View & SpatanBuild CD bound inside)

by
Edition:
6th
ISBN13:

9780132367318

ISBN10:
0132367319
Format:
Paperback
Pub. Date:
1/1/2006
Publisher(s):
Prentice Hall

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Summary

This workbook with CD features SpartanViewTM and SpartanBuildTM software. It includes a software tutorial and numerous challenging exercises that readers can tackle to solve problems involving structure building and analysis, using the tools included in the two pieces of Spartan software. Included are the molecular model files for the activities. Free when packaged with selected Pearson textbooks. A useful workbook for chemistry courses.

Table of Contents

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)
Liquid Water
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)
Hyperconjugation
40(1)
Structure of Free Radicals
41(1)
Singlet and Triplet Methylene
42(1)
Enantiomers
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)
Phenyl vs. Benzyl Cation
49(1)
Skeletal Rearrangements of Carbocation Intermediates
50(1)
Conformational Control of E2 Elimination
51(1)
cis-trans Isomerization
52(1)
Hydroboration of Alkenes
53(1)
Stereochemistry of Alkene Hydrogenation
54(1)
Electrophilic Addition of Br2 to Alkenes
55(1)
Anions from Alkynes
56(1)
Alkyne vs. Alkene Reactivity
57(1)
pKa's of Alcohols
58(1)
The Pinacol Rearrangement
59(1)
Crown Ethers
60(1)
Resonance Control of Conformation
61(1)
Chlorination of Toluene
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)
Polar Hydrocarbons
69(1)
Useful Electrophiles
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)
Phase-Transfer Catalysis
76(1)
Intra and Intermolecular Hydrogen Bonding
77(1)
Vitamin C. Ascorbic Acid
78(1)
Enolate Acidity, Stability and Geometry
79(1)
Aldol Condensation
80(1)
Michael Addition
81(1)
Glucose
82(1)
DNA Base Pairs
83(1)
Structure of the Double Helix
84(1)
Structure of Glycine in the Gas Phase and in Water
85(1)
Amino Acid Sidechains
86(1)
Structure of Polypeptides
87(1)
Spin Traps and Radical Scavengers
88(1)
Fatty Acid and Fats. What Makes Good Soap?
89(1)
Synthetic Polymers
90(1)
Spartan Build. An Electronic Model Kit
91(6)
Index of Models 97


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