Principal component analysis of dihedral angles as a criterion for the choice of conformations of flexible molecules

Yamin, Peyman; Leonhard, Kai; Mokrushina, Arlt W.

(2011)
Poster

In: Molecular Modeling of Thermophysical Properties - Science meets Engineering Dortmund 2011-09-15 - 2011-09-16

Institutions

• Chair and Institute of Technical Thermodynamics [412110]