Design and Evaluation of New Catalysts for Chemistry Using 'Gaussian'
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
- Company:ヒューリンクス
- Price:Other