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Deutschsprachige Seite |
Q-Chem |
A quantum leap into the future of chemistry |
![[detailed description]](../../_private/images/ddescription.jpg){kind=small}
![[contact addresses]](../../_private/images/addresses.jpg){kind=small}
![[events]](../../_private/images/events.jpg){kind=small}
| Producer | |
| Q-Chem Inc. | |
| System requirements | |
| Version | 2.1 |
| Operating system | OSF, AIX, IRIX, HP-UX, Linux |
| Hardware requirement | Cray vector, DEC Alpha, IBM RS6000, SGI, HP, Intel |
| Required RAM | 64 MB RAM |
| Harddisc space | 50 MB |
| Product description | |
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Q-Chem is a quantum leap into the future of chemistry, providing HF, DFT, and Hybrid HF-DFT methods athat are at the cutting edge of quantum chemistry today. Q-Chem can calculate single point energy, search for a geometry minimum or transition state, calculate vibrational spectra and electronic excitation spectra. Can attach to HyperChem interface. |
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| Interfaces | |
| HyperChem | |
