Communications in Computational Chemistry

cicc

Communications in Computational Chemistry

Editorial Board

Aims and Scope

The journal Communications in Computational Chemistry (CiCC) publishes short and rapid communications on all aspects of theoretical and computational chemistry. Regular, feature and perspective articles, reviews as well as software introductions are also acceptable.

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Current Issue

2025-09-05 Vol. 7 No. 4 (2025)

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Articles

Benchmarking Density Functional Theory for Noble Metal Hydrides: A High-Fidelity PES and Vibrational Analysis of the ${\rm AgAuH}^−$ Anion

Yuquan Feng, Kaiyi Zhao, Jun Chen
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2216 228 Pages:274-280
The Data-Centric Paradigm in Synthetic Chemistry: AI Reaction Modeling Needs More than Reactant-Product Pairs

Mingjun Yang, Peiyu Zhang
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3696 233 Pages:281-288
Application of Modern Intelligent Algorithms in Retrosynthesis Prediction

Jianhan Liao, Xiaoxin Shi, Ya Gao, Xingyu Wang, Tong Zhu
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3615 256 Pages:289-310
Computational Study on the Reaction Mechanism of LigW-Catalyzed Carboxylation of Monohydroxybenzoic Acids

Qinrou Li, Shiqing Zhang, Wei Wang, Hao Su, Xiang Sheng
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1621 224 Pages:325-330
Breathing New Life into Classical Force Fields

Xiwen Sun, Xueguang Shao, Wensheng Cai, Haohao Fu
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1685 323 Pages:331-342
Unraveling Li-Ion Solvation Dynamics in Ether-Based Electrolytes via High-Throughput Molecular Dynamics Simulations and Machine Learning

Yicheng Gong, Weiwei Xie, Jun Chen
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871 97 Pages:343-349
Combining All-Atom Molecular Dynamics Simulation and NMR to Analyze Conformational Ensemble of Intrinsically Disordered Proteins

Xingyu Song, Wenning Wan
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535 198 Pages:350-360

Review

The Quantum Compass Mechanism in Cryptochromes

Chengye Zou, Ya-jun Liu, Beibei Wang
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3105 321 Pages:311-324

Journal information

Online Issn

2617-8575

Print Issn

2305-7076

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