Open access
Aug 2026
PyQuiverHS: A Web Tool for Computing Isotope Effects
Predicting isotope effects using electronic structure calculations is widely done, but current software options can present a barrier for some chemists, depending upon their needs and software/programming proficiency. Building upon existing code bases, we have developed PyQuiverHS as a free web tool ( www.isotope‐...
Gianmarc Grazioli, Andrew M Ly, Dianoosh Sabetnejad et al.
· Journal of Physical Organic... · 0 citations