Vol. 7 No. 2 (2025)
open access
Published:
2025-06-13
Articles
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Quantum Dynamics of Water from Møller-Plesset Perturbation Theory via a Neural Network Potential
https://doi.org/10.4208/cicc.2025.88.01 [An open-access article; the PDF is free to any online user.]378 181 -
Insights into the Chalcogen Bonding Catalysis on the ${\rm CO}_2$ Fixation with Styrene Oxide
https://doi.org/10.4208/cicc.2025.70.01 [An open-access article; the PDF is free to any online user.]251 160 -
Mechanistic Insights into the Pd-Catalyzed Carbonylation of Alkynol for $α$-Methylene-$β$-Lactone Formation
https://doi.org/10.4208/cicc.2025.85.03 [An open-access article; the PDF is free to any online user.]257 121 -
Unraveling the Impact of Non-Covalent Interactions and Different Donor Moieties on Charge Transport in DPPT-Based Polymers
https://doi.org/10.4208/cicc.2025.80.01 [An open-access article; the PDF is free to any online user.]258 136 -
Evaluation of Phase Networks in Transformer-Based Neural Network Quantum States
https://doi.org/10.4208/cicc.2025.92.01 [An open-access article; the PDF is free to any online user.]259 167 -
Molecular Insight into Energy Loss in Organic Solar Cells
https://doi.org/10.4208/cicc.2025.98.01 [An open-access article; the PDF is free to any online user.]320 199 -
Two-Dimensional Convolutional Neural Networks for Predicting Non-Markovian Quantum Dissipative Dynamics
https://doi.org/10.4208/cicc.2025.90.01 [An open-access article; the PDF is free to any online user.]275 157 -
DFT Study on the Mechanism of Water Oxidation Catalyzed by a Mononuclear Copper Complex
https://doi.org/10.4208/cicc.2025.49.01 [An open-access article; the PDF is free to any online user.]297 140 -
Benchmarking Universal Machine Learning Force Fields with Hydrogen-Bonding Cooperativity
https://doi.org/10.4208/cicc.2025.90.02 [An open-access article; the PDF is free to any online user.]4752 458 -
Energy Near-Degeneracy Driven Covalency Analyzed by a Two-Electron Two-Orbital Model
https://doi.org/10.4208/cicc.2025.99.01 [An open-access article; the PDF is free to any online user.]4721 448