QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules

by Johannes Hoja, Leonardo Medrano Sandonas, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr., Alexandre Tkatchenko
Published 2021-02-01

Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters

by Xiaopeng Yu, Junteng Jia, Shu Xu, Ka Un Lao, Maria J. Sanford, Ramesh K. Ramakrishnan, Sergei I. Nazarenko, Thomas R. Hoye, Geoffrey W. Coates, Robert A. DiStasio
Published 2018-07-01