Software - Tutorial Textbook for Molecular Modeling

45. Molecular Reaction Movies
46. Stability of Carbocations
47. Conformation Searches with Molecular Dynamics
48. Simulated Annealing
49. Langevin Dynamics
50. Intramolecular Vibrations

Chapter 8. Molecular Dynamics

41. UV Spectra of Polycyclic Aromatic Hydrocarbons
42. Vibrational Spectra
43. The Spectra of Visual Pigments
44. Solvent Effects on Spectra

Chapter 7. Spectroscopy

37. Permanent Dipole Moments
38. Dipole Moment of Flexible Molecules
39. The Effect of Dielectric Medium on Rotational States
40. Charge Transfer and Excited State Dipole Moments

Chapter 6. Charge Distributions

28. Heats of Formation of Conjugated Hydrocarbons
29. The Heat of Combustion of Fuels
30. Dehydration of 1-Butanol: the Stability of Alkenes
31. Stability of Dibenzalacetone Isomers
32. Intermolecular Hydrogen Bonding
33. Steric Energies of Cubanes
34. Tautomerism of 7-Aminopyrazolo pyrimidine
35. Resonance Energy: Benzene and Hexasilabenzene
36. Flavin Redox Chemistry

Chapter 5. Thermodynamics

22. Small Molecule Conformational Analysis by Hand
23. Small Molecule Conformation Analysis Using Macros
24. The "Peptide Bond" in N-methylacetamide
26. Stable Conformers of the Alanine Dipeptide
27. The Inversion Barrier in Ammonia and Aniline

Chapter 4. Conformational Analysis

17. Exploring the Formation of Molecular Orbitals - 1
18. Exploring the Formation of Molecular Orbitals - 2
19. Molecular Orbitals: Ethene and Formaldehyde
20. Walsh Diagrams for H₂X Molecules
21. The Jahn-Teller Effect

Chapter 3. Molecular Orbitals and Bonding

9. Periodicity: Bond Lengths and Bond Angles
10. Valence Shell Electron Repulsion Theory
11. Ionization Energy
12. Proton Affinity
13. Electron Affinity
14. Periodicity of Bond Enthalpy
15. Structure-Stability Relationships
16. The Acidity of Oxoacids

Chapter 2. Molecular Geometry and Properties

Laboratory Exercises Using HyperChem^?

HyperChem is a registered trademark of Hypercube, Inc. All other trade and product names mentioned are the service marks, trademarks or registered trademarks of their respective holders.

HyperChem is a molecular modeling software product noted for its ease of use. It is a comprehensive desktop productivity tool for visualizing, analyzing and communicating information about molecular structures as well as for performing the calculations of computational chemistry. It is the leading molecular modeling software for the Microsoft Windows environment of IBM-compatible PCs.

Hypercube, Inc. is a privately held scientific software company incorporated in 1985 and headquartered in Waterloo, Ontario, Canada. Their principal business location is now in Gainesville, Florida. Hypercube's principal product is HyperChem for Intel-based PCs running Microsoft Windows 95 or NT and machines from Silicon Graphics, Inc., and now for the DIGITAL Alpha platform running Windows NT. Other products include HyperChem Lite, an introductory version of HyperChem; ChemPlus, a set of extensions to HyperChem; and HyperNMR, a package that performs a priori quantum mechanical simulation of NMR spectra.

Background

The book is now available and is priced at $24.95 plus shipping. To order, customers may contact their local dealer or Hypercube, Inc. directly. The book's is available for review on this page below.

"We at Hypercube are excited to announce the arrival of this book," comments Neil Ostlund, President and CEO of Hypercube, Inc. "Educators will be very pleased to have this resource that will add even greater educational value to the use of HyperChem in the classroom."

"With software like HyperChem, chemical educators have the advantage of a powerful tool that not only brings real educational value, but also has a substantial impact on how chemistry is done in the workplace," explains Mary L. Caffery, co-author of the book. "The use of molecular modeling tools should become as common in the undergraduate chemistry curriculum as a simple spectrophotometer or pH meter."

The purpose of the book is to provide a resource for college faculty members interested in including molecular modeling in their courses. Readers will find exercises that can be used in courses ranging from general chemistry to upper division biochemistry. It even includes simple exercises for courses for non-science majors.

May 20, 1998, Gainesville, Florida - Hypercube, Inc., developers of the popular PC-based molecular modeling software package, HyperChem^? , is now offering a textbook intended for use in the undergraduate chemistry curriculum.   Entitled Laboratory Exercises Using HyperChem, the book combines the efforts of authors Mary L. Caffery, Paul A. Dobosh, and Diane M. Richardson and includes exercises that integrate the use of HyperChem into the chemistry curriculum.

is now offering a textbook intended for use in the undergraduate chemistry curriculum