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Photodissociation of the HeH+ ion into excited fragments (n=2,3) by time-dependent methods

机译：通过时间依赖的方法将HeH +离子光解离为激发的片段（n = 2,3）

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Peer reviewed

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Sodoga, K.; Loreau, J.; Lauvergnat, D.; Justum, Y.; Vaeck, N.; Desouter, Michèle;
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年度 2009
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1. Photodissociation of the HeH~+ ion into excited fragments (n = 2, 3) by time-dependent methods [J] . K. Sodoga, J. Loreau, D. Lauvergnat, Physical Review, A. Atomic, molecular, and optical physics . 2009,第3aPta2期

机译：依赖时间的方法将HeH〜+离子光解为激发片段（n = 2，3）
2. Implementation of the analytic energy gradient for the combined time-dependent density functional theory/effective fragment potential method: Application to excited-state molecular dynamics simulations [J] . Minezawa N., De Silva N., Zahariev F., The Journal of Chemical Physics . 2011,第5期

机译：时变密度泛函理论/有效片段势方法相结合的解析能梯度的实现：在激发态分子动力学模拟中的应用
3. Excited state geometry optimizations by time-dependent density functional theory based on the fragment molecular orbital method [J] . Chiba M, Fedorov DG, Nagata T, Chemical Physics Letters . 2009,第1a3期

机译：基于碎片分子轨道方法的时变密度泛函理论优化激发态几何
4. Application of UV Photodissociation on a QqTOF Enabling Generation and Recording of Unique Fragment Ions on LC Time Scale. [C] . J.C. Yves Le Blanc, Changtong Hao, Chris Lock, American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2009

机译：UV Photodissociation在LC时间尺度上实现和记录独特片段离子的QQTOF。
5. Applications of laser-ion beam photodissociation for the study of diene systems and a study of the ion-molecule chemistry of ionic transition metal cluster fragments by ligand exchange reactions. [D] . Sellers-Hann, Mary Linda. 1989

机译：激光-离子束光解离在二烯体系研究中以及通过配体交换反应研究离子过渡金属簇片段的离子分子化学的应用。
6. Excited-State Electronic Structure with Configuration Interaction Singles and Tamm–Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units [O] . Christine M. Isborn, Nathan Luehr, Ivan S. Ufimtsev, -1

机译：具有图形相互作用单元和Tamm–Dancoff时间相关密度函数理论的图形处理单元的激发态电子结构
7. Implementation of the Analytic Energy Gradient for the Combined Time-Dependent Density Functional Theory/Effective Fragment Potential Method: Application to Excited-State Molecular Dynamics Simulations [O] . Minezawa, Noriyuki, De Silva, Nuwan, Zahariev, Federico, 2011

机译：时变密度泛函理论/有效片段势方法相结合的解析能梯度的实现：在激发态分子动力学模拟中的应用
8. Excited Fragments from Excited Molecules: Energy Partitioning in the Photodissociation of Alkyl Iodides [R] . Riley, S. J., Wilson, K. R. 1972

机译：激发分子的激发碎片：烷基碘的光解离中的能量分配

Photodissociation of the HeH+ ion into excited fragments (n=2,3) by time-dependent methods

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