Translate   10 w

https://www.selleckchem.com/products/Rolipram.html
We introduce a dataset of 24 interaction energy curves of open-shell noncovalent dimers, referred to as the O24 × 5 dataset. The dataset consists of high-spin dimers up to 11 atoms selected to assure diversity with respect to interaction types dispersion, electrostatics, and induction. The benchmark interaction energies are obtained at the restricted open-shell CCSD(T) level of theory with complete basis set extrapolation (from aug-cc-pVQZ to aug-cc-pV5Z). We have analyzed the performance of selected wave function methods MP2, CCSD, an

  • Like
  • Love
  • HaHa
  • WoW
  • Sad
  • Angry