Please tell me tools for Quantum Chemistry/Quantum Mechanics DFT Calculation studies. Software for Windows and Linux platform, free and commercially available.
Mr. Singh,
Gaussian: http://www.gaussian.com
Gamess-US: http://www.msg.ameslab.gov/GAMESS/
Dalton: http://daltonprogram.org/
Quantum espresso for periodic calculations: http://www.quantum-espresso.org/
Dear Krishna,
The most commercially exploited software for the DFT calculations is Gaussian, (Both Linux and Windows).
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kindly reply me. Thanking you in advance.
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