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

por Johannes Hoja, Leonardo Medrano Sandonas, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr., Alexandre Tkatchenko
Publicado 2021

Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters

por 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
Publicado 2018