Multipole models of sulphur for accurate anisotropic electrostatic interactions within force fields. [electronic resource]
- SAR and QSAR in environmental research Jan 2018
- 21-42 p. digital
Publication Type: Journal Article
1029-046X
10.1080/1062936X.2017.1406403 doi
Drug Discovery Models, Molecular Quantitative Structure-Activity Relationship Static Electricity Sulfur--chemistry