SAMPL7 physical property prediction from EC-RISM theory

Tielker, N; Gussregen, S; Kast, SM

Kast, SM (corresponding author), Tech Univ Dortmund, Phys Chem 3, Otto Hahn Str 4a, D-44227 Dortmund, Germany.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2021; 35 (8): 933