The chemical reaction process is the breaking/generation of chemical bonds, the most important of which is the microscopic state containing chemical bond breaking and generation information. These microscopic states constitute what we call the reaction mechanism (also called reaction path). The development of quantum mechanics has greatly promoted chemical research. The rise of computational chemistry based on quantum mechanics and classical mechanics is one of them. Through computational chemistry tools, the microscopic mechanism of the reaction process can be easily explained, which also makes us understand the chemical awareness reached an unprecedented height. Chemistry Calculation
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