Progress and Applications of Computer Aided Molecular Design Based on Group Contribution-Method and Quantum Chemistry Method
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Publisher
Springer Nature Singapore
Link
https://link.springer.com/content/pdf/10.1007/978-981-19-4132-0_71
Reference40 articles.
1. Alshehri, A.S., Gani, R., You, F.: Deep learning and knowledge-based methods for computer aided molecular design – toward a unified approach: state-of-the-art and future directions. Comput. Chem. Eng. 141, 107005 (2020)
2. Papadopoulos, A.I.: Computer-aided molecular design: fundamentals, methods, and applications. In: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering (2018)
3. Samudra, A.P., Sahinidis, N.V.: Optimization-based framework for computer-aided molecular design. AIChE J. 59(10), 3686–3701 (2013)
4. Gertig, C., et al.: Integrated In Silico design of catalysts and processes based on quantum chemistry. Comput. Aided Chem. Eng. 48, 889–894 (2020)
5. Wondimagegn, T., Wang, D., Razavi, A., Ziegler, T.: In Silico design of C1 - and Cs - symmetric fluorenyl-based metallocene catalysts for the synthesis of high-molecular-weight polymers from ethylene/propylene copolymerization. Organometallics 28(5), 1383–1390 (2009)
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