Chem. Sci., 2023, 14,10702-10717
DOI: 10.1039/D3SC03598K, Edge Article
DOI: 10.1039/D3SC03598K, Edge Article
Open Access
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Leonardo Medrano Sandonas, Johannes Hoja, Brian G. Ernst, Álvaro Vázquez-Mayagoitia, Robert A. DiStasio, Alexandre Tkatchenko
This work demonstrates that “freedom of design” is a fundamental and emergent property of chemical compound space. Such intrinsic flexibility enables rational design of distinct molecules sharing an array of targeted quantum-mechanical properties.
The content of this RSS Feed (c) The Royal Society of Chemistry
This work demonstrates that “freedom of design” is a fundamental and emergent property of chemical compound space. Such intrinsic flexibility enables rational design of distinct molecules sharing an array of targeted quantum-mechanical properties.
The content of this RSS Feed (c) The Royal Society of Chemistry