Machine learning and DFT coupling: A powerful approach to explore organic amine catalysts for ring-opening polymerization reaction-Reference-Cited by-同舟云学术

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Machine learning and DFT coupling: A powerful approach to explore organic amine catalysts for ring-opening polymerization reaction

Published:2024-06 Issue: Volume:292 Page:119955
ISSN:0009-2509
Container-title:Chemical Engineering Science
language:en
Short-container-title:Chemical Engineering Science

Author:

Zhong Haoliang,Wu Ying^ORCID,Li Xu^ORCID,Shi Tongfei^ORCID

Funder

Basic and Applied Basic Research Foundation of Guangdong Province

National Natural Science Foundation of China

State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University

Publisher

Elsevier BV

Reference65 articles.

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2. Aladdin Corp., Homepage. https://www.aladdin-e.com/.

3. Metal catalysts for ε-caprolactone polymerisation;Arbaoui;Polym. Chem.,2010

4. Acid− base bifunctional and dielectric outer-sphere effects in heterogeneous catalysis: a comparative investigation of model primary amine catalysts;Bass;J. Am. Chem. Soc.,2006

5. Random forest in remote sensing: a review of applications and future directions;Belgiu;ISPRS J. Photogramm. Remote Sens.,2016

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3. High-Throughput Screening and Prediction of Nucleophilicity of Amines Using Machine Learning and DFT Calculations;Journal of Chemical Information and Modeling;2024-08-08

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