活性中间体合成与表征以及反应历程理论计算 (IMAGE) Science China Press Caption (A)活性催化剂单晶结构以及相关磁性、价态、自旋态等表征和电子结构计算;(B)DFT计算的反应过程中自由能变化。 Credit ©《中国科学》杂志社 Usage Restrictions Use with credit. License Original content Disclaimer: AAAS and EurekAlert! are not responsible for the accuracy of news releases posted to EurekAlert! by contributing institutions or for the use of any information through the EurekAlert system.