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List of works by Weiwei Xie

Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump–Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway–Window Representation

scientific article published on 23 March 2021

Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

scientific article published on 01 April 2019

Efficient Surface Hopping Approach for Modeling Charge Transport in Organic Semiconductors

scientific article published on 18 February 2022

HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level <i>ab initio</i> calculations

scientific article published on 27 November 2021

Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study

scientific article published on 01 November 2020

Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Bandlike Charge Transport in Organic Semiconductors

scientific article published on 26 March 2020

Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters

scientific article published on 24 January 2019

Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study

scientific article published on 26 May 2020

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