MindMap Gallery Computational Chemistry Methods and Tools

Computational Chemistry Methods and Tools

This mind map covers computational chemistry methods and tools, delving into three main areas: molecular mechanics, molecular modeling, and quantum chemistry software. Molecular mechanics focuses on computational prediction of molecular structures and properties, simulating intermolecular interactions through force fields. Molecular modeling utilizes computer technology to construct molecular models for studying their physical and chemical properties. Quantum chemistry software, based on quantum mechanics principles, accurately calculates molecular electronic structures and reactivity. These tools collectively drive advancements in fields such as new drug development and material design.

Edited at 2024-12-17 08:28:39
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Computational Chemistry Methods and Tools

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