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Physical Chemistry Chemical Physics : PCCP|September 5, 2015
Mechanisms of large Stokes shift and aggregation-enhanced emission of osmapentalyne cations in solution: combined MD simulations and QM/MM calculationsGuang-Xu Sun, Ming-Gang Ju, Hang Zang, et al.
Journal of Chemical Theory and Computation|June 10, 2023
Electronic Couplings for Singlet Fission Processes Based on the Fragment Particle-Hole DensitiesYu-Chen Wang, Shishi Feng, Yi Kong, et al.
The Journal of Physical Chemistry. B|September 22, 2012
Investigating the structural origin of trpzip2 temperature dependent unfolding fluorescence line shape based on a Markov state model simulationJian Song, Fang Gao, Raymond Z Cui, et al.
International Journal of Quantum Chemistry|August 11, 2020
Constructing Spin-Adiabatic States for the Modeling of Spin-Crossing Reactions. I. A Shared-Orbital ImplementationYunwen Tao, Zheng Pei, Nicole Bellonzi, et al.
The Journal of Physical Chemistry Letters|December 21, 2021
H-Type-like Aggregation-Accelerated Singlet Fission Process in Dipyrrolonaphthyridinedione Thin Film: The Role of Charge Transfer/Excimer Mixed Intermediate StateLong Wang, Wanlin Cai, Jing Sun, et al.
Nature Communications|August 11, 2019
Single-handed supramolecular double helix of homochiral bis(N-amidothiourea) supported by double crossed C-I···S halogen bondsXiaosheng Yan, Kunshan Zou, Jinlian Cao, et al.
The Journal of Physical Chemistry Letters|March 11, 2021
Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization EnergiesZheng Pei, Qi Ou, Yuezhi Mao, et al.
Physical Chemistry Chemical Physics : PCCP|November 10, 2020
Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulationsJunjie Yang, Zheng Pei, Jingheng Deng, et al.
Physical Chemistry Chemical Physics : PCCP|November 20, 2020
Analysis and visualization of energy densities. II. Insights from linear-response time-dependent density functional theory calculationsZheng Pei, Junjie Yang, Jingheng Deng, et al.
Physical Chemistry Chemical Physics : PCCP|April 20, 2021
Correction: Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulationsJunjie Yang, Zheng Pei, Jingheng Deng, et al.
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