Description of Gaussian for computational chemists
Gaussian is software for computational chemists. The first version of this program was released in 1970, but over time it became one of the most popular programs in the field of computational chemistry. The program was created by Professor John Pople and his research team at the University of Mellon.
Professor Pople and his students used the capabilities of this software to do good research in quantum chemistry and other disciplines that demonstrate the practical application of this product.
Gaussian has many capabilities in modeling electronic structures, the Windows version of this software has the extension w (such as 09w), and also for Mac PCs based on power pc software will have the extension m. A 32-bit version of the single CPU is also available to researchers as a light version with an IM extension, such as 09IM. The Windows version of Gaussian can run as a single-processor or multi-processor.
Features and specifications of Gaussian for computational chemists software:
- Has a large number of important and basic algorithms
- Modeling a variety of topics related to computational chemistry
- Optimization of geometry and modeling of chemical reactions
- Vibration analysis
- Applying different molecular properties
- ONIOM calculations
- Analysis of arousal states
- Automatic optimization of vibrations or point energies
- Easy replacement of element isotopes and change of their temperature and pressure characteristics
- A simple definition of fragments and their molecular properties
- Automatic optimization of transition structures
- Select and sort favorite normal modes during frequency calculations as well as save and read these modes
- Recover data from multiple checkpoint files for calculations
Gaussian for computational chemists Installation guide
Windows and GaussView versions are registered serially. The Linux version is also complete.
How to install Linux version 16:
mkdir -p $ HOME / opt / gaussian / SCR
export g16root = $ HOME / opt / gaussian
tar xvjf G16-A03-AVX2.tbz -C $ g16root
export GAUSS_EXEDIR = $ g16root / g16
export GAUSS_SCRDIR = $ g16root / scr
chmod -R $ 700 GAUSS_EXEDIR
cd $ GAUSS_EXEDIR
Run the calculation :
$ GAUSS_EXEDIR / g16 example.inp
The Linux version B.01 has been made available for download by Mr. Hosseini Lavasani.
Gaussian for computational chemists download link
Gaussian 16 C.01 AVX Linux x64
Support AVX & SSE3, SSE2, SSE CPUs
Gaussian 16 Rev. A.03 ES64L Linux x64