Reaction pathway exploration and energy analysis for petrochemicals using 'Gaussian'
Cutting-edge computational chemistry technology that supports process optimization.
In the field of petrochemicals, a precise molecular-level understanding is required for the optimization of chemical reactions and the development of new materials. Particularly, identifying reaction pathways, designing catalysts, and predicting physical properties are essential for process optimization. Existing methods may encounter limitations in computational cost and accuracy when addressing these challenges. The chemical calculation software 'Gaussian' provides cutting-edge techniques for electronic state calculations and computational chemistry models, supporting the resolution of these issues. 【Application Scenarios】 - Exploration of reaction pathways and energy analysis - Optimization of molecular structures in catalyst design - Prediction of physical properties of new materials - Simulation of reaction conditions 【Benefits of Implementation】 - Increased efficiency in process development - Optimization leading to cost reduction - Acceleration of research and development
- Company：ヒューリンクス
- Price：Other
