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Ab initio quantum chemistry software "Q-Chem"

Significantly improve calculation speed and accuracy! Integrate various advanced calculation methods and tools.

Q-Chem is a comprehensive ab initio quantum chemistry software designed for accurate predictions of molecular structures, reactivity, vibrations, electronic and NMR spectra. It is equipped with features that facilitate applications in fields such as pharmaceuticals, materials science, and biochemistry. It is designed to provide accurate predictions of molecular structures, reactivity, vibrations, electronic and NMR spectra. [Features] - Interface with external tools (generation of archive files in HDF5 format) - New geometry optimization for ground state and excited state calculations - Analytical frequency calculations and orbital Hessians using the VV10 functional (Jiashu Liang) *For more details, please refer to the related links or feel free to contact us.

Company：B7
Price：Other

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Structure optimization of new materials for materials science using 'Gaussian'

A cutting-edge electronic state calculation program that supports the exploration of new materials.

In the field of materials science, atomic-level property predictions are required for the development of new materials with novel functions. Particularly, understanding the properties of unknown materials in advance can lead to reduced development costs and shortened development periods. However, it is challenging to efficiently evaluate the vast number of candidate materials using only traditional experimental methods. The chemical calculation software "Gaussian" provides cutting-edge techniques for electronic state calculations and computational chemistry models, supporting the resolution of these challenges in the search for new materials. 【Usage Scenarios】 - Structural optimization of new materials - Prediction of electronic states and properties of materials - Catalyst development through reaction pathway analysis - Evaluation of material stability 【Benefits of Implementation】 - Increased efficiency through narrowing down candidate materials - Reduction in the number of experimental verifications - Improved accuracy in predicting material properties - Shortened research and development cycles

Company：ヒューリンクス
Price：Other

Computational Chemistry
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Using 'Gaussian' for molecular structure analysis of new semiconductor materials.

Cutting-edge computational chemistry technology that supports molecular design in the semiconductor field.

In the field of semiconductors, molecular design requires precise prediction of material properties to advance innovative device development. Particularly in the exploration of new materials and the enhancement of existing materials' performance, it is essential to accurately understand behavior at the molecular level. Inadequate molecular design can lead to delays in the development cycle and risks of not achieving the expected performance. The chemical calculation software 'Gaussian' provides cutting-edge methods for electronic state calculations and computational chemistry models, supporting research and development in the semiconductor field. [Application Scenarios] - Molecular structure analysis of new semiconductor materials - Simulation of material properties - Elucidation of catalytic reaction mechanisms - Structural optimization in molecular design [Effects of Implementation] - Shortening of the development cycle - Improvement in the accuracy of material property predictions - Increased efficiency in research and development

Company：ヒューリンクス
Price：Other

Computational Chemistry
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Chemical calculation software "Gaussian" for cosmetics.

Cutting-edge computational chemistry technology that supports the research and development of functional ingredients.

In the cosmetics industry, precise molecular design and property prediction are required for the exploration of functional ingredients and the elucidation of their mechanisms of action. Particularly in the development of new ingredients and the improvement of existing ones, it is crucial to deeply understand their chemical properties and to find safe and effective usage methods. Inadequate preliminary evaluations can lead to delays in development and unexpected issues. The chemical calculation software 'Gaussian' provides cutting-edge methods for electronic state calculations and computational chemistry models, supporting the research and development of functional ingredients. 【Usage Scenarios】 - Molecular structure design of new functional ingredients - Prediction of ingredient stability and reactivity - Analysis of interactions with biomolecules - Structural modifications aimed at improving the performance of existing ingredients 【Benefits of Implementation】 - Shortened development time - Reduced research and development costs - Enhanced performance of functional ingredients - Support for safety evaluations

Company：ヒューリンクス
Price：Other

Computational Chemistry
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Chemical software

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Ab initio quantum chemistry software "Q-Chem"

Structure optimization of new materials for materials science using 'Gaussian'

Using 'Gaussian' for molecular structure analysis of new semiconductor materials.

Chemical calculation software "Gaussian" for cosmetics.

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