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最新版 HyperChem 8.0.3 (2007.6/13更新)

 相關產品  HyperProtein Professional 1.0│HyperChem for PowerPC Mac
│HyperChem for Intel Mac│HyperChem Student Edition│
HyperChem Lite 3.0│Pocket HyperChem

HyperChem is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use. Uniting 3D visualization and animation with quantum chemical calculations, molecular mechanics, and dynamics, HyperChem puts more molecular modeling tools at your fingertips than any other Windows program. Our newest version, HyperChem Release 8.0, is a full 32-bit application, developed for the Windows 95, 98, NT, ME, 2000, XP, and Vista operating systems. HyperChem Release 8.0 incorporates even more powerful computational chemistry tools than ever before, as well as supporting multiple third-party applications. Its drawing and rendering capabilities and ease of use are standards for the industry.

New Featuress
The new features of HyperChem Release 8.05 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