Non-covalent interactions in quantum chemistry and physics: theory and applications

por Roza, Alberto Otero de la, DiLabio, Gino A
Publicado 2017

PEPCONF, a diverse data set of peptide conformational energies

por Prasad, Viki Kumar, Otero-de-la-Roza, Alberto, DiLabio, Gino A.
Publicado 2019

Structure–function relationships in aryl diazirines reveal optimal design features to maximize C–H insertion

por Musolino, Stefania F., Pei, Zhipeng, Bi, Liting, DiLabio, Gino A., Wulff, Jeremy E.
Publicado 2021

BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds

por Prasad, Viki Kumar, Khalilian, M. Hossein, Otero-de-la-Roza, Alberto, DiLabio, Gino A.
Publicado 2021

Are we failing female and racialized academics? A Canadian national survey examining the impacts of the COVID‐19 pandemic on tenure and tenure‐track faculty

por Davis, Jennifer C., Li, Eric Ping Hung, Butterfield, Mary Stewart, DiLabio, Gino A., Santhagunam, Nithi, Marcolin, Barbara
Publicado 2022

Flexible polyfluorinated bis-diazirines as molecular adhesives

por Simhadri, Chakravarthi, Bi, Liting, Lepage, Mathieu L., Takaffoli, Mahdi, Pei, Zhipeng, Musolino, Stefania F., Milani, Abbas S., DiLabio, Gino A., Wulff, Jeremy E.
Publicado 2021

Bimodal Evans–Polanyi Relationships in Hydrogen Atom Transfer from C(sp(3))–H Bonds to the Cumyloxyl Radical. A Combined Time-Resolved Kinetic and Computational Study

por Salamone, Michela, Galeotti, Marco, Romero-Montalvo, Eduardo, van Santen, Jeffrey A., Groff, Benjamin D., Mayer, James M., DiLabio, Gino A., Bietti, Massimo
Publicado 2021