The photodissociation mechanism of o-chlorotoluene on the low-lying electronic states has been investigated with the use of the CASSCF and CASPT2 techniques.
采用量子化学从头算CASSCF和CASPT 2方法对邻氯甲苯在低激发态上的光解机理进行了理论研究。
The photodissociation mechanism of o-chlorotoluene on the low-lying electronic states has been investigated with the use of the CASSCF and CASPT2 techniques.
采用量子化学从头算CASSCF和CASPT 2方法对邻氯甲苯在低激发态上的光解机理进行了理论研究。
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