Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface von Zheng, Qijing, Saidi, Wissam A, Xie, Yu, Lan, Zhenggang, Prezhdo, Oleg V, Petek, Hrvoje, Zhao, Jin

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mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics von Guan, Weizhong, Bao, Peng, Peng, Jiawei, Lan, Zhenggang, Shi, Qiang

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The development of the QM/MM interface and its application for the on-the-fly QM/MM nonadiabatic dynamics in JADE package: Theory, implementation, and applications von Huang, Haiyi, Peng, Jiawei, Zhang, Yulin, Gu, Feng Long, Lan, Zhenggang, Xu, Chao

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Chiral Pathways and Periodic Decay in cis-Azobenzene Photodynamics von Weingart, Oliver, Lan, Zhenggang, Koslowski, Axel, Thiel, Walter

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Analysis of bath motion in MM-SQC dynamics via dimensionality reduction approach: Principal component analysis von Peng, Jiawei, Xie, Yu, Hu, Deping, Lan, Zhenggang

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Ultrafast structural flattening motion in photoinduced excited state dynamics of a bis(diimine) copper() complex von Du, Likai, Lan, Zhenggang

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Nonadiabatic decay dynamics of 9H-guanine in aqueous solution von HEGGEN, Berit, ZHENGGANG LAN, THIEL, Walter

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Performance of trajectory surface hopping method in the treatment of ultrafast intersystem crossing dynamics von Peng, Jiawei, Xie, Yu, Hu, Deping, Lan, Zhenggang

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“Watching” the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor von Pang, Xiaojuan, Cui, Xueyan, Hu, Deping, Jiang, Chenwei, Zhao, Di, Lan, Zhenggang, Li, Fuli

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Porous graphdiyne applied for sodium ion storage von Zhang, Shengliang, He, Jianjiang, Zheng, Jie, Huang, Changshui, Lv, Qing, Wang, Kun, Wang, Ning, Lan, Zhenggang

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The Theoretical Estimation of the Bioluminescent Efficiency of the Firefly via a Nonadiabatic Molecular Dynamics Simulation von Yue, Ling, Lan, Zhenggang, Liu, Ya-Jun

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Quantum Chemistry Dataset with Ground- and Excited-state Properties of 450 Kilo Molecules von Zhu, Yifei, Li, Mengge, Xu, Chao, Lan, Zhenggang

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On-the-fly simulation of time-resolved fluorescence spectra and anisotropy von Xu, Chao, Lin, Congru, Peng, Jiawei, Zhang, Juanjuan, Lin, Shichen, Gu, Feng Long, Gelin, Maxim F., Lan, Zhenggang

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QM/MM Nonadiabatic Decay Dynamics of 9H-Adenine in Aqueous Solution von Lan, Zhenggang, Lu, You, Fabiano, Eduardo, Thiel, Walter

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Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods von Hu, Deping, Liu, Yan Fang, Sobolewski, Andrzej L, Lan, Zhenggang

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The role of the charge-transfer states in the ultrafast excitonic dynamics of the DTDCTB dimers embedded in a crystal environment von Jiang, Shengshi, Xie, Yu, Lan, Zhenggang

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Photoinduced Nonadiabatic Dynamics of 9H-Guanine von Lan, Zhenggang, Fabiano, Eduardo, Thiel, Walter

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Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor von Kazaryan, Andranik, Lan, Zhenggang, Schäfer, Lars V, Thiel, Walter, Filatov, Michael

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The Effects of Methoxylated Isoindigo on the Optical and Charge Transport Properties of the Corresponding Polymers von Xiong, Zihan, Wen, Wei, Zhu, Yifei, Mu, Youbing, Zhao, Zhiyuan, Lan, Zhenggang, Wan, Xiaobo, Liu, Yunqi

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Dynamics of Triplet-State Photochemistry of Pentanal: Mechanisms of Norrish I, Norrish II, and H Abstraction Reactions von Shemesh, Dorit, Lan, Zhenggang, Gerber, R. Benny

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