New Features
The new features of HyperChem Release 8.0.2 include the following:
• Microsoft Vista Compatibility
• New Third-Party Interfaces
• New Batch Capabilities
• Universal Use of Double Precision
• Undo and Redo Capabilities for Model Building
• Easy Access to Molecules via a Recent File List
• Geometric Measurement Involving Points, Lines, and Planes
• A Chemical Substituent Operation
• Revised Toolbar with Easier Access to Model Building
• Calculation of Entropies and Free Energies
• Calculation of Heat Capacities
• Calculation of Zero-Point Energies
• Computation of Rate Constants
• Computation of Equilibrium Constants
• Further Capabilities for MP2 Perturbation Energies
• Separation of Configuration Interaction from Single Points
• Rendering of POINT, LINE, and PLANE
• Integration of Temperature as a System Variable
• Display of Line Width Envelopes for IR and UV Spectra
• Separation of MM-QM Capabilities from Current Selection
• Separation of Fixed Atoms from Current Selection
• Ability to Fix Atoms in Quantum Mechanical Computations
• Vibrational Analysis for Molecular Mechanics
• Applied Electric Fields for Molecular Mechanics
• Ability to Explore "Particle-in-a Box" Wave Functions
• Ability to Select Desired Energy Units (kcal, kJ, or Hartree)
• Miscellaneous Bug Fixes and Small Improvements