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Journal Articles
Effect of morphology structures on hydrogen evolution reaction and oxygen evolution reaction performances of Mo2CO2 MXene
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 199–211 (2025)
Published: April 2025
Journal Articles
Effects of benzene-fused position on photophysical properties of benzocoumarin-based two-photon fluorescent probes for HClO detection
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 212–221 (2025)
Published: April 2025
Journal Articles
Vibrational mode selectivity in dissociative ionization of 2-ethoxyethanol: An IR-VUV NRIFD-IR spectroscopic study
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 156–163 (2025)
Published: April 2025
Includes: Supplementary data
Journal Articles
Excited-state proton transfer dynamics of fisetin in acetonitrile and methanol
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 181–188 (2025)
Published: April 2025
Includes: Supplementary data
Journal Articles
Machine learning density functional compatible with dispersion correction for non-covalent interactions
Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 140–148 (2025)
Published: April 2025
Journal Articles
Electronic circular dichroism spectra calculation based on generalized energy-based fragmentation approach
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 102–112 (2025)
Published: February 2025
Includes: Supplementary data
Journal Articles
Influence of defect structures on intervalley scattering in two-dimensional WSe2 revealed by double-resonance raman spectroscopy
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 25–36 (2025)
Published: February 2025
Includes: Supplementary data
Journal Articles
Theoretical screening of transition metal single atoms anchored on γ-graphyne as electrocatalysts for nitrogen reduction reaction
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 63–72 (2025)
Published: February 2025
Includes: Supplementary data
Journal Articles
Theoretical study on CO2 hydrogenation on In2O3(111) supported single-atom catalysts: Horiuti-polanyi versus non-horiuti-polanyi mechanism
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 54–62 (2025)
Published: February 2025
Journal Articles
Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 8–16 (2025)
Published: February 2025
Includes: Supplementary data
Journal Articles
A new diabatic potential energy matrix for the two lowest electronic states of H3
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 38, 37–44 (2025)
Published: February 2025
Journal Articles
Methane activation by closed-shell tantalum sulfide anions TaS3−
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 823–830 (2024)
Published: December 2024
Journal Articles
Exploration of vibrationally resolved threshold photoelectron spectrum of difluoromethane within photon energy range of 12.45–14.10 eV
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 754–762 (2024)
Published: December 2024
Journal Articles
Study on generation of metal–fluorides, YbF and PbF
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 769–776 (2024)
Published: December 2024
Journal Articles
First-principles study of blue phosphorene and graphene intralayer heterostructure as anode materials for rechargeable Li-ion batteries
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 653–661 (2024)
Published: October 2024
Includes: Supplementary data
Journal Articles
Enhanced oxygen evolution reaction performance by dynamic adsorption of intermediates on C2N-supported single atom catalysts
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 662–670 (2024)
Published: October 2024
Includes: Supplementary data
Journal Articles
First-principles study on switching performance and spin filtering efficiency of dimethyldihydropyrene/cyclophanediene single-molecule devices with zigzag graphene nanoribbon electrodes
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 644–652 (2024)
Published: October 2024
Includes: Supplementary data
Journal Articles
Theoretical design of molecular diode based on thiol- and amino- terminated molecules
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 638–643 (2024)
Published: October 2024
Includes: Supplementary data
Journal Articles
First-principles insights into Ptn/ZnO(0001) catalyst: Regulation of metal-support interaction through surface polarity
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Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 582–590 (2024)
Published: October 2024
Includes: Supplementary data
Journal Articles
Journal:
Chinese Journal of Chemical Physics
Chin. J. Chem. Phys. 37, 591–598 (2024)
Published: October 2024
Includes: Supplementary data
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