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    Just Accepted

    Just accepted articles have been peer-reviewed and accepted, which are not yet assigned to volumes/issues, but are citable by Digital Object Identifier (DOI).
    Ab initio Potential Energy Surfaces and Low-Temperature Collisional Dynamics for Rotational De-excitation of HNC and HCN by Ar
    Liman Tian, Tong Sun, Chuangang Ning, Xiaolin Chen
    Abstract PDF
    Time-Resolved Study of Vacuum Ultraviolet Excited State Dynamics in Pyrrole Using 160 nm Femtosecond Laser Pulses Generated by Four-Wave Mixing in Argon
    Yuhuan Tian, Wenping Wu, baichao zhang, Zhigang He, Zhichao Chen, Dongyuan Yang, Guorong Wu, Xueming Yang
    Abstract PDF
    Theoretical Investigation of High-Performance Pure Red MR-TADF Organic Lasers with Suppressed Efficiency Roll-Off
    Yachen Cui, Shaoqiao Zhao, Jianzhong Fan, Lili Lin, Yu-Zhi Song, Chuankui Wang, Lei Cai
    Abstract PDF
    A Multi-Scale Molecular Dynamics Scheme/Toolkit for Polymer Modeling
    Miaolan Zhen, Mingyang Li, Jialei Xu, Rui Shi, hujun qian, Youliang Zhu, Zhong-Yuan Lu
    Abstract PDF
    Sublinear scaling second-order polarization propagator approximation (SOPPA) for the calculation of indirect spin-spin coupling constants
    Bohan Yan, Yong Zhang, Yang Guo
    Abstract PDF
    KSSOLV-GPU 2.0: A lightweight MATLAB toolbox for GPU-accelerated plane-wave hybrid functional and spin-polarized density functional theory calculations
    YeHao Zeng, Zhenlin Zhang, Zhaolong Luo, Jun Gao, Sheng Chen, Wentiao Wu, Yexuan Lin, Yihong Zhang, Xinming Qin, Weiyi Wang, Zhiwen Zhuo, Shizhe Jiao, Wei Hu
    Abstract PDF
    Theoretical study of ultrafast electron transfer in Arabidopsis thaliana cryptochrome: A comparative study of mode specific contributions and perturbative methods
    Tianchu Li, Hengyue Zhang, Qiang Shi
    Abstract PDF