https://www.selleckchem.com/pr....oducts/taurochenodeo
7 ± 0.1 × 10-13 m2 s-1.An efficient representation of molecular correlated wave functions is proposed, which features regularization of the Coulomb electron-electron singularities via the F12-style explicit correlation and a pair-natural orbital factorization of the correlation components of the wave function expressed in the real space. The pair-natural orbitals are expressed in an adaptive multiresolution basis and computed directly by iterative variational optimization. The approach is demonstrated by computing the
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