Choice of solvents for selective control of kinetics and thermodynamics of chemical reactions (A04)
Choice of solvents for selective control of kinetics and thermodynamics of chemical reactions (A04)
用于选择性控制化学反应动力学和热力学的溶剂选择（A04）
批准号：
166360358
负责人：
金额：
$0.0万
依托单位国家：
德国
项目类别：
CRC/Transregios
财政年份：
2010
资助国家：
德国
项目状态：
已结题
起止时间：
2009-12-31 至 2020-12-31
中文摘要
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英文摘要
This subproject will combine quantum-chemical calculations of transition states and standard Gibbs energies of reaction with modeling the non-ideal interactions of reactants, products, and solvents using an equation of state (PC-SAFT). The combination of these two methods will allow predicting the solvent influence on the equilibrium and kinetics of chemical reactions and thus to choose the best-suitable solvent for a given reaction.
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