IndraLab

Statements

CALM1 binds S12h. 3 / 3
| 3
sparser
"Of these four, two give an excellent description of the RC well depth: M06−L (−1.18 kcal·mol −1 ) and CAM−S12h (−1.21 kcal·mol −1 ), while the other two underestimate it slightly (B97−3, −0.44 kcal·mol −1 ) or show a non-existent RC (B2PLYP, +0.04 kcal·mol −1 )."
23823873
sparser
"The recently developed S12h and M06−2X bring the deviation from CC−cf down to ca. 2 kcal·mol −1 , while excellent results (deviation <0.5 kcal·mol −1 ) are obtained with four functionals: B2PLYP (48.53 kcal·mol −1 ), M06−L (49.45 kcal·mol −1 ), B97−3 (48.46 kcal·mol −1 ) and CAM−S12h (48.41 kcal·mol −1 )."
23823873
sparser
"Excellent results have been obtained with B97-3, M06-L and the newly developed CAM−S12h functional."
23823873