Chinese Journal of Chemical Physics

Xiangyu Zang , Zhaoyan Zhang , Chong Wang , Tiantong Wang , Huijun Zheng , Hua Xie , Jiayue Yang , Dongxu Dai , Guorong Wu , Weiqing Zhang , Gang Li , Xueming Yang , Ling Jiang

[Abstract](395) [FullText HTML] (134) [PDF 336KB](56)

11

Roaming Dynamics of H+C$_{2}$D$_{2}$ Reaction on Fundamental-Invariant Neural Network Potential Energy Surface

Yuyao Bai , Yan-Lin Fu , Yong-Chang Han , Bina Fu , Dong H. Zhang

[Abstract](423) [FullText HTML] (197) [PDF 393KB](39)

12

K-means Find Density Peaks in Molecular Conformation Clustering

Guiyan Wang , Ting Fu , Hong Ren , Peijun Xu , Qiuhan Guo , Xiaohong Mou , Yan Li , Guohui Li

[Abstract](431) [FullText HTML] (129) [PDF 825KB](35)

13

Computational Characterization of Nanosystems

Xiongzhi Zeng , Wei Hu , Xiao Zheng , Jin Zhao , Zhenyu Li , Jinlong Yang

[Abstract](533) [FullText HTML] (211) [PDF 7278KB](70)

14

Probing Effect of Solvation on Photoexcited Quadrupolar Donor-Acceptor-Donor Molecule via Ultrafast Raman Spectroscopy

Wei Zhang , Jie Kong , Wenqi Xu , Xinmiao Niu , Di Song , Weimin Liu , Andong Xia

[Abstract](749) [FullText HTML] (287) [PDF 284KB](70)

15

Adiabatic Potential Energy Surfaces and Photodissociation Mechanisms for Highly Excited States of H₂O

Feng An , Shanyu Han , Xixi Hu , Kaijun Yuan , Daiqian Xie

[Abstract](478) [FullText HTML] (184) [PDF 3741KB](79)

16

Six-Dimensional State-to-State Quantum Dynamics of H₂/D₂ Scattering from Cu(100): Validity of Site-Averaging Model

Liang Zhang , Lingjun Zhu , Bin Jiang

[Abstract](471) [FullText HTML] (183) [PDF 6730KB](47)

17

Generalized Energy-Based Fragmentation Approach for Accurate Binding Energies and Raman Spectra of Methane Hydrate Clusters

Lei Zhang , Zheng Cheng , Wei Li , Shuhua Li

[Abstract](425) [FullText HTML] (166) [PDF 23304KB](39)

18

Accurate Quantum Dynamics of the Simplest Isomerization System Involving Double-H Transfer

Jia Luo , Jianwei Cao , Hao Liu , Wensheng Bian

[Abstract](338) [FullText HTML] (120) [PDF 8232KB](17)

19

Electronic Couplings for Singlet Oxygen Photosensitization and Its Molecular Orbital Overlap Description

Jiaying Chen , Tongmei Ma , Shuming Bai , Qiang Shi

[Abstract](393) [FullText HTML] (144) [PDF 3310KB](28)

20

Large Amplitude Motion in 9-Methylanthracene: High-Resolution Spectroscopy and Ab Initio Theoretical Calculation

Masaaki Baba , Ayumi Kanaoka , Akiko Nishiyama , Masatoshi Misono , Takayoshi Ishimoto , Taro Udagawa

[Abstract](1104) [FullText HTML] (379) [PDF 208KB](63)

21

Scanning Raman Picoscopy: Ångström-Resolved Tip-Enhanced Raman Spectromicroscopy^†

Yao Zhang , Yang Zhang , Zhen-chao Dong

[Abstract](1218) [FullText HTML] (502) [PDF 17838KB](137)

22

Crystallographic and Morphological Sensitivity of N₂ Activation over Ruthenium

Hao Lin , Jin-xun Liu , Hong-jun Fan , Wei-xue Li

[Abstract](1059) [FullText HTML] (472) [PDF 6321KB](87)

23

Detection of Radiocarbon Dioxide with Double-Resonance Absorption Spectroscopy

Yan-dong Tan , Cun-feng Cheng , Dong Sheng , Shui-ming Hu

[Abstract](1165) [FullText HTML] (492) [PDF 925KB](143)

24

A Three-Dimensional Velocity-Map Imaging Setup Designed for Crossed Ion-Molecule Scattering Studies

Guo-dong Zhang , Li-chang Guan , Zi-feng Yan , Min Cheng , Hong Gao

[Abstract](709) [FullText HTML] (251) [PDF 5105KB](71)

25

Marcus' Electron Transfer Rate Revisited via a Rice-Ramsperger-Kassel-Marcus Analogue: A Unified Formalism for Linear and Nonlinear Solvation Scenarios

Yao Wang , Yu Su , Rui-Xue Xu , Xiao Zheng , YiJing Yan

[Abstract](967) [FullText HTML] (423) [PDF 327KB](106)

26

Kinetics Study on Reaction of Atenolol with Singlet Oxygen by Directly Monitoring the ¹O₂ Phosphorescence

Chen Wang , Ming-chen Xiong , Xuan Zhao , Kun-hui Liu

[Abstract](658) [FullText HTML] (278) [PDF 3425KB](47)

27

Concentration-Dependent Influence of Silver Nanoparticles on Amyloid Fibrillation Kinetics of Hen Egg-White Lysozyme

Wei Fan , Xiao-dong Chen , Li-ming Liu , Ning Chen , Xiao-guo Zhou , Zhi-hong Zhang , Shi-lin Liu

[Abstract](658) [FullText HTML] (276) [PDF 9100KB](55)

28

KSSOLV-GPU: an Efficient GPU-Enabled MATLAB Toolbox for Solving the Kohn-Sham Equations within Density Functional Theory in Plane-Wave Basis Set^†

Zhen-lin Zhang , Shi-zhe Jiao , Jie-lan Li , Wen-tiao Wu , Ling-yun Wan , Xin-ming Qin , Wei Hu , Jin-long Yang

[Abstract](1090) [FullText HTML] (470) [PDF 2352KB](77)

29

Time-Dependent Density Matrix Renormalization Group Coupled with n-Mode Representation Potentials for the Excited State Radiationless Decay Rate: Formalism and Application to Azulene^†

Jia-jun Ren , Yuan-heng Wang , Wei-tang Li , Tong Jiang , Zhi-gang Shuai

[Abstract](937) [FullText HTML] (424) [PDF 1231KB](63)

30

Recent Implementations in LASP 3.0: Global Neural Network Potential with Multiple Elements and Better Long-Range Description^†

Pei-lin Kang , Cheng Shang , Zhi-pan Liu

[Abstract](1012) [FullText HTML] (392) [PDF 3737KB](68)

31

Long Chain Fatty Acid Affects Excited State Branching in Bilirubin-Human Serum Protein Complex^†

Yang-yi Liu , Hai-feng Pan , Jian-hua Xu , Jin-quan Chen

[Abstract](706) [FullText HTML] (307) [PDF 19988KB](71)

32

Direct Observation of Electron-Vibration Coupling at MXene-Solvent Interface^†

Yan-jun Xu , He-yuan Liu , Hai-long Chen

[Abstract](656) [FullText HTML] (277) [PDF 12459KB](44)

33

Theoretical Study on Direction of Vibrational Transition Dipole Moment of XH Stretching Vibration in HXD

Kaito Takahashi

[Abstract](2117) [FullText HTML] (874) [PDF 451KB](60)

34

Cavity Ring-Down Spectroscopy Measurements of Ambient NO$_\bf{3}$ and N$_\bf{2}$O$_\bf{5}$

Hao Wu , Jian Chen , An-wen Liu , Shui-ming Hu , Jing-song Zhang

[Abstract](1753) [FullText HTML] (635) [PDF 4150KB](93)

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