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Automatic Multiscale Method of Building up a Cross-linked Polymer Reaction System: Bridging SMILES to the Multiscale Molecular Dynamics Simulation.
Pei, Han-Wen; Zhu, You-Liang; Lu, Zhong-Yuan; Li, Jun-Peng; Sun, Zhao-Yan.
Affiliation
  • Pei HW; State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China.
  • Zhu YL; School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, People's Republic of China.
  • Lu ZY; College of Chemistry, Jilin University, Changchun 130012, People's Republic of China.
  • Li JP; College of Chemistry, Jilin University, Changchun 130012, People's Republic of China.
  • Sun ZY; State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Sino-Platinum Metals Company, Limited, Kunming 650106, People's Republic of China.
J Phys Chem B ; 127(21): 4905-4914, 2023 Jun 01.
Article in En | MEDLINE | ID: mdl-37200472
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Phys Chem B Journal subject: QUIMICA Year: 2023 Document type: Article
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Phys Chem B Journal subject: QUIMICA Year: 2023 Document type: Article