Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathways
- 期刊名称The Journal of Chemical Physics
- 作者Isegawa, Miho; Liu, Fengyi; Maeda, Satoshi; Morokuma, Keiji
- 卷第141卷
- 期第15期
- 印刷ISSN0021-9606
- 电子ISSN1089-7690
- 文件大小3517.80KB
- 发表时间2014-10-21
- DOI10.1063/1.4897633
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