Cutting-edge computational chemistry techniques that support research and development in the field of chemistry.
In the field of chemical research and development, precise electronic state calculations and the use of computational chemistry models are required for the design of new catalysts and the elucidation of reaction mechanisms. In particular, advanced computational methods are essential for predicting catalyst activity and selectivity, and for promoting efficient development. The general-purpose quantum chemistry calculation program 'Gaussian' meets these needs and supports the acceleration of research and development. 【Application Scenarios】 - Design and evaluation of new catalysts - Exploration and optimization of reaction pathways - Elucidation of catalytic reaction mechanisms - Property prediction in material design 【Effects of Implementation】 - Shortening of the catalyst development cycle - Reduction of experimental costs - Discovery of highly active and highly selective catalysts - Deepening of understanding of reactions at the molecular level
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basic information
【Features】 - Acceleration through GPU-based parallel computing - Inclusion of new DFT functionals (M08HX, MN15, MN15L, PW6B95, PW6B95D3) - Support for anharmonic vibrational analysis methods such as DCPT2 and HDCPT2 - Support for NBO7 - Extensibility via Python interface □ List of Functions □ (Go to the HyLinks page) https://www.hulinks.co.jp/software/gaussian/#function
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□Request a Quote Here□ (Go to the Hyulinks page) https://www.hulinks.co.jp/software/gaussian/#price
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Applications/Examples of results
There are numerous implementation results in university and corporate research departments. It is not only operational on cluster servers and supercomputers, but there are also cases where it is implemented on desktop servers. □ Please take a look at the catalog □ - General-purpose quantum chemistry calculations / Pre-post program 'Gaussian/GaussView' - Detailed version of Gaussian_GaussView
Line up（1）
| Model number | overview |
|---|---|
| GaussView 6 | https://www.hulinks.co.jp/software/gaussview/ |
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Company information
Even in a rapidly changing world, the philosophy of HuLinks has not changed since its founding. The greatness of humanity lies in our ability to think, create, and carve out a new tomorrow. We aim to contribute to society by providing carefully selected solutions that support this remarkable human ability—intellectual creation—while also offering a more comfortable environment and enhancing productivity.
